1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene

C12H14F4 — CID 71056767

IUPAC1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene
SMILESCC(C)[C@@H](C)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F4/c1-7(2)8(3)9-4-5-11(13)10(6-9)12(14,15)16/h4-8H,1-3H3/t8-/m1/s1
InChIKeyUHVJRTKBWOSTOH-MRVPVSSYSA-N
MW234.24 g/mol
LogP4.60
Rot. Bonds2

About 1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene

1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene (PubChem CID 71056767) has the molecular formula C12H14F4 and a molecular weight of 234.24 g/mol. Its IUPAC name is 1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene
PubChem CID71056767
Molecular FormulaC12H14F4
Molecular Weight234.24 g/mol
Exact Mass234.10
IUPAC Name1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene
SMILESCC(C)[C@@H](C)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F4/c1-7(2)8(3)9-4-5-11(13)10(6-9)12(14,15)16/h4-8H,1-3H3/t8-/m1/s1
InChIKeyUHVJRTKBWOSTOH-MRVPVSSYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutanoic acid
CID 107289983
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,4-trimethylpentan-1-ol
CID 107292150
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171222157
[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine
CID 105325763
ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene
CID 169205433
(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171202601
(1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 131481827
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethoxy-N-methylethanamine
CID 107289120
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171222184
N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 115854344
4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene
CID 79721901
[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methylfuran-2-yl)methanol
CID 107287144

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene (CID 71056767) is 1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene is CC(C)[C@@H](C)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene?
The InChIKey is UHVJRTKBWOSTOH-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14F4/c1-7(2)8(3)9-4-5-11(13)10(6-9)12(14,15)16/h4-8H,1-3H3/t8-/m1/s1.
What are the key properties of 1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene?
1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene has a molecular weight of 234.24 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 71056767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).