(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine

C11H13ClF3N — CID 170896665

IUPAC(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCC[C@@H](N)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C11H13ClF3N/c1-2-3-10(16)7-4-8(11(13,14)15)6-9(12)5-7/h4-6,10H,2-3,16H2,1H3/t10-/m1/s1
InChIKeyLQCPUTNRLPGUQV-SNVBAGLBSA-N
MW251.68 g/mol
LogP4.16
Rot. Bonds3

About (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine

(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 170896665) has the molecular formula C11H13ClF3N and a molecular weight of 251.68 g/mol. Its IUPAC name is (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID170896665
Molecular FormulaC11H13ClF3N
Molecular Weight251.68 g/mol
Exact Mass251.07
IUPAC Name(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCC[C@@H](N)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C11H13ClF3N/c1-2-3-10(16)7-4-8(11(13,14)15)6-9(12)5-7/h4-6,10H,2-3,16H2,1H3/t10-/m1/s1
InChIKeyLQCPUTNRLPGUQV-SNVBAGLBSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
CID 171234941
(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
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171234933
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171215302
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171234964
(1S)-1-(3-chloro-5-fluorophenyl)butan-1-amine
CID 131091213
(3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid
CID 124514915
(1R)-1-(3-bromo-5-chlorophenyl)butan-1-amine
CID 130706946
1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene
CID 118120315
3-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine
CID 117107346

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine (CID 170896665) is (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine is CCC[C@@H](N)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is LQCPUTNRLPGUQV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13ClF3N/c1-2-3-10(16)7-4-8(11(13,14)15)6-9(12)5-7/h4-6,10H,2-3,16H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine?
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 251.68 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 170896665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).