2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene

C20H23ClF4 — CID 144880341

IUPAC2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(F)(F)F)cc1Cl.Cc1cc(C(C)C)ccc1F
InChIInChI=1S/C10H10ClF3.C10H13F/c1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-7(2)9-4-5-10(11)8(3)6-9/h3-6H,1-2H3;4-7H,1-3H3
InChIKeyMSXBKRGJXRDNBU-UHFFFAOYSA-N
MW374.85 g/mol
LogP7.74
Rot. Bonds2

About 2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene

2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene (PubChem CID 144880341) has the molecular formula C20H23ClF4 and a molecular weight of 374.85 g/mol. Its IUPAC name is 2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene
PubChem CID144880341
Molecular FormulaC20H23ClF4
Molecular Weight374.85 g/mol
Exact Mass374.14
IUPAC Name2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(F)(F)F)cc1Cl.Cc1cc(C(C)C)ccc1F
InChIInChI=1S/C10H10ClF3.C10H13F/c1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-7(2)9-4-5-10(11)8(3)6-9/h3-6H,1-2H3;4-7H,1-3H3
InChIKeyMSXBKRGJXRDNBU-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.85
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4-fluoro-3-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751473
1-[bromo-[4-(trifluoromethyl)phenyl]methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81047970
1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
CID 158524706
(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine
CID 129407606
2-chloro-1,4-di(propan-2-yl)benzene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;methane;bis(2-methyl-1,4-di(propan-2-yl)benzene)
CID 163434511
(3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 107560100
2-chloro-1-(dichloromethyl)-4-(trifluoromethyl)benzene;1-(dichloromethyl)-4-(trifluoromethyl)benzene
CID 157379718
(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
CID 131398448
2-chloro-1-(dichloromethyl)-4-(trifluoromethyl)benzene
CID 10858323
(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62789476
(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 55152989
1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 102755598

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene?
The IUPAC name of 2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene (CID 144880341) is 2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene.
What is the SMILES notation for 2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene?
The canonical SMILES for 2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene is CC(C)c1ccc(C(F)(F)F)cc1Cl.Cc1cc(C(C)C)ccc1F.
What is the InChIKey of 2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene?
The InChIKey is MSXBKRGJXRDNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3.C10H13F/c1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-7(2)9-4-5-10(11)8(3)6-9/h3-6H,1-2H3;4-7H,1-3H3.
What are the key properties of 2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene?
2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene has a molecular weight of 374.85 g/mol, XLogP of 7.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 144880341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).