benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine

C63H84F10N2O5 — CID 162060904

IUPACbenzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccccn1.COCC(C)(C)O.COCC(O)C1CC1.c1ccccc1
InChIInChI=1S/C10H11F3O.C10H11F3.C9H10F3N.C9H11F.C8H11N.C6H12O2.C6H6.C5H12O2/c1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9-8;1-8-4-6(7)5-2-3-5;1-2-4-6-5-3-1;1-5(2,6)4-7-3/h3-7H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;5-7H,2-4H2,1H3;1-6H;6H,4H2,1-3H3
InChIKeyYZVDKGDFCQHBID-UHFFFAOYSA-N
MW1139.35 g/mol
LogP18.41
Rot. Bonds11

About benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine

benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 162060904) has the molecular formula C63H84F10N2O5 and a molecular weight of 1139.35 g/mol. Its IUPAC name is benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Namebenzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine
PubChem CID162060904
Molecular FormulaC63H84F10N2O5
Molecular Weight1139.35 g/mol
Exact Mass1138.62
IUPAC Namebenzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccccn1.COCC(C)(C)O.COCC(O)C1CC1.c1ccccc1
InChIInChI=1S/C10H11F3O.C10H11F3.C9H10F3N.C9H11F.C8H11N.C6H12O2.C6H6.C5H12O2/c1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9-8;1-8-4-6(7)5-2-3-5;1-2-4-6-5-3-1;1-5(2,6)4-7-3/h3-7H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;5-7H,2-4H2,1H3;1-6H;6H,4H2,1-3H3
InChIKeyYZVDKGDFCQHBID-UHFFFAOYSA-N
XLogP18.41
TPSA93.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001139.35
LogP ≤ 518.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine (CID 162060904) is benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine is CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccccn1.COCC(C)(C)O.COCC(O)C1CC1.c1ccccc1.
What is the InChIKey of benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The InChIKey is YZVDKGDFCQHBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O.C10H11F3.C9H10F3N.C9H11F.C8H11N.C6H12O2.C6H6.C5H12O2/c1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9-8;1-8-4-6(7)5-2-3-5;1-2-4-6-5-3-1;1-5(2,6)4-7-3/h3-7H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;5-7H,2-4H2,1H3;1-6H;6H,4H2,1-3H3.
What are the key properties of benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine?
benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 1139.35 g/mol, XLogP of 18.41, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 162060904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).