2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene

C11H12ClF3 — CID 131992955

IUPAC2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene
SMILESCC[C@@H](C)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C11H12ClF3/c1-3-7(2)10-8(11(13,14)15)5-4-6-9(10)12/h4-7H,3H2,1-2H3/t7-/m1/s1
InChIKeyYQKSPMJTRJOMEE-SSDOTTSWSA-N
MW236.66 g/mol
LogP4.87
Rot. Bonds2

About 2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene

2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene (PubChem CID 131992955) has the molecular formula C11H12ClF3 and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene
PubChem CID131992955
Molecular FormulaC11H12ClF3
Molecular Weight236.66 g/mol
Exact Mass236.06
IUPAC Name2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene
SMILESCC[C@@H](C)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C11H12ClF3/c1-3-7(2)10-8(11(13,14)15)5-4-6-9(10)12/h4-7H,3H2,1-2H3/t7-/m1/s1
InChIKeyYQKSPMJTRJOMEE-SSDOTTSWSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butan-2-yl-1,3-bis(trifluoromethyl)benzene
CID 20823616
2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine
CID 117347970
(1S)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine
CID 171227154
(1R)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207579
2-butan-2-yl-6-(trifluoromethyl)phenol
CID 10214490
(1S)-1-[2-chloro-6-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine;hydrochloride
CID 171227171
2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline
CID 43121812
2-chloro-N-(2-methylpentyl)-6-(trifluoromethyl)aniline
CID 43121811
2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine
CID 117452946
1-[(1S)-1-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171165396
1-[(1S)-1-[2-chloro-6-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine;hydrochloride
CID 171165364
1-chloro-2-(trifluoromethyl)benzene
CID 161495124

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene?
The IUPAC name of 2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene (CID 131992955) is 2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene is CC[C@@H](C)c1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene?
The InChIKey is YQKSPMJTRJOMEE-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12ClF3/c1-3-7(2)10-8(11(13,14)15)5-4-6-9(10)12/h4-7H,3H2,1-2H3/t7-/m1/s1.
What are the key properties of 2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene?
2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene has a molecular weight of 236.66 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene is sourced from PubChem (CID 131992955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).