(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine

C9H9ClF3N — CID 129407606

IUPAC(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H9ClF3N/c1-5(14)7-3-2-6(4-8(7)10)9(11,12)13/h2-5H,14H2,1H3/t5-/m1/s1
InChIKeySQDYNHWWIVDWAV-RXMQYKEDSA-N
MW223.63 g/mol
LogP3.38
Rot. Bonds1

About (1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine

(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 129407606) has the molecular formula C9H9ClF3N and a molecular weight of 223.63 g/mol. Its IUPAC name is (1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine
PubChem CID129407606
Molecular FormulaC9H9ClF3N
Molecular Weight223.63 g/mol
Exact Mass223.04
IUPAC Name(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H9ClF3N/c1-5(14)7-3-2-6(4-8(7)10)9(11,12)13/h2-5H,14H2,1H3/t5-/m1/s1
InChIKeySQDYNHWWIVDWAV-RXMQYKEDSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.63
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 82783494
(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
CID 131398448
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine
CID 71074670
1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 102755598
2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
CID 96763613
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 71074659
2-chloro-1-(dichloromethyl)-4-(trifluoromethyl)benzene
CID 10858323
(1S)-1-[2-bromo-4-(trifluoromethyl)phenyl]ethanamine
CID 131172048
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
CID 43825554
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine (CID 129407606) is (1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine is C[C@@H](N)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of (1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is SQDYNHWWIVDWAV-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H9ClF3N/c1-5(14)7-3-2-6(4-8(7)10)9(11,12)13/h2-5H,14H2,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine?
(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 223.63 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 129407606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).