(1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride

C9H9Cl2F4N — CID 171209449

IUPAC(1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H8ClF4N.ClH/c10-6-2-1-5(3-7(6)11)8(15)4-9(12,13)14;/h1-3,8H,4,15H2;1H/t8-;/m1./s1
InChIKeyUXJACGZOGXWQJQ-DDWIOCJRSA-N
MW278.08 g/mol
LogP3.85
Rot. Bonds2

About (1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride

(1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride (PubChem CID 171209449) has the molecular formula C9H9Cl2F4N and a molecular weight of 278.08 g/mol. Its IUPAC name is (1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
PubChem CID171209449
Molecular FormulaC9H9Cl2F4N
Molecular Weight278.08 g/mol
Exact Mass277.00
IUPAC Name(1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H8ClF4N.ClH/c10-6-2-1-5(3-7(6)11)8(15)4-9(12,13)14;/h1-3,8H,4,15H2;1H/t8-;/m1./s1
InChIKeyUXJACGZOGXWQJQ-DDWIOCJRSA-N
XLogP3.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.08
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride
CID 171198755
(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171227223
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171234883
(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
CID 171209484
3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride
CID 170874594
(1S)-1-(4-chloro-3-fluorophenyl)-2,2,2-trifluoroethanamine
CID 56971915
(1S)-1-(3,6-dichloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171235270
(1R)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171249553
(1S)-1-(4-chloro-3-fluorophenyl)but-3-en-1-amine
CID 55272750
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757
(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171227788

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride (CID 171209449) is (1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride is Cl.N[C@H](CC(F)(F)F)c1ccc(Cl)c(F)c1.
What is the InChIKey of (1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride?
The InChIKey is UXJACGZOGXWQJQ-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H8ClF4N.ClH/c10-6-2-1-5(3-7(6)11)8(15)4-9(12,13)14;/h1-3,8H,4,15H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride?
(1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride has a molecular weight of 278.08 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171209449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).