2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine

C64H85F5N4 — CID 159569933

IUPAC2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(F)cc1.CC(C)c1cccnc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)cn1.Cc1cncc(C(C)C)c1
InChIInChI=1S/C10H13F.C10H14.C9H10F3N.C9H11F.2C9H13N.C8H11N/c1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-4-3-5-9-6-8/h4-7H,1-3H3;4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;2*4-7H,1-3H3;3-7H,1-2H3
InChIKeyMHRLWBPBMLCLQM-UHFFFAOYSA-N
MW1005.40 g/mol
LogP19.78
Rot. Bonds7

About 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine

2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 159569933) has the molecular formula C64H85F5N4 and a molecular weight of 1005.40 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID159569933
Molecular FormulaC64H85F5N4
Molecular Weight1005.40 g/mol
Exact Mass1004.67
IUPAC Name2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(F)cc1.CC(C)c1cccnc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)cn1.Cc1cncc(C(C)C)c1
InChIInChI=1S/C10H13F.C10H14.C9H10F3N.C9H11F.2C9H13N.C8H11N/c1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-4-3-5-9-6-8/h4-7H,1-3H3;4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;2*4-7H,1-3H3;3-7H,1-2H3
InChIKeyMHRLWBPBMLCLQM-UHFFFAOYSA-N
XLogP19.78
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.40
LogP ≤ 519.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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Related Compounds

4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
4-Piperidin-1-yl-1-[[4-[3-[4-[(4-piperidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]propyl]phenyl]methyl]pyridin-1-ium dibromide
CID 54582591
2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-
CID 9972674
3-Benzyl-1-[5-[2,4,5-tris[5-(3-benzylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44159304
3-Phenyl-1-[5-[2,4,5-tris[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44159538
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 66829417
Nemertelline
CID 3042423
4'-(4-Methylphenyl)-2,2'-6',2''-terpyridine
CID 146114
4-Piperidin-1-yl-1-[[4-[2-[4-[(4-piperidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]ethyl]phenyl]methyl]pyridin-1-ium dibromide
CID 10484792
4-Piperidin-1-yl-1-[[4-[4-[(4-piperidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]pyridin-1-ium dibromide
CID 11158130

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine (CID 159569933) is 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(F)cc1.CC(C)c1cccnc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)cn1.Cc1cncc(C(C)C)c1.
What is the InChIKey of 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is MHRLWBPBMLCLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F.C10H14.C9H10F3N.C9H11F.2C9H13N.C8H11N/c1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-4-3-5-9-6-8/h4-7H,1-3H3;4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;2*4-7H,1-3H3;3-7H,1-2H3.
What are the key properties of 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 1005.40 g/mol, XLogP of 19.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 159569933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).