1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene

C11H12ClF3 — CID 118120315

IUPAC1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene
SMILESCC[C@@H](C)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12ClF3/c1-3-7(2)8-4-9(11(13,14)15)6-10(12)5-8/h4-7H,3H2,1-2H3/t7-/m1/s1
InChIKeyREKIYEIYVCUASA-SSDOTTSWSA-N
MW236.66 g/mol
LogP4.87
Rot. Bonds2

About 1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene

1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene (PubChem CID 118120315) has the molecular formula C11H12ClF3 and a molecular weight of 236.66 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene
PubChem CID118120315
Molecular FormulaC11H12ClF3
Molecular Weight236.66 g/mol
Exact Mass236.06
IUPAC Name1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene
SMILESCC[C@@H](C)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12ClF3/c1-3-7(2)8-4-9(11(13,14)15)6-10(12)5-8/h4-7H,3H2,1-2H3/t7-/m1/s1
InChIKeyREKIYEIYVCUASA-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

Analyze 1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine
CID 117107346
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine
CID 170896665
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171234933
CID 145483057
CID 145483057
N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N-methylpropan-2-amine
CID 123426290
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171234961
(2S)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514953
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514954
(3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
CID 171251476
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171271401
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131306985

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene (CID 118120315) is 1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene is CC[C@@H](C)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene?
The InChIKey is REKIYEIYVCUASA-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12ClF3/c1-3-7(2)8-4-9(11(13,14)15)6-10(12)5-8/h4-7H,3H2,1-2H3/t7-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene?
1-[(2R)-butan-2-yl]-3-chloro-5-(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 1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene is sourced from PubChem (CID 118120315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).