(1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine

C9H7ClF5N — CID 131403549

IUPAC(1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine
SMILESN[C@H](CC(F)(F)F)c1c(F)cc(Cl)cc1F
InChIInChI=1S/C9H7ClF5N/c10-4-1-5(11)8(6(12)2-4)7(16)3-9(13,14)15/h1-2,7H,3,16H2/t7-/m1/s1
InChIKeyGKWZTLSXQGPKPG-SSDOTTSWSA-N
MW259.61 g/mol
LogP3.57
Rot. Bonds2

About (1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine

(1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 131403549) has the molecular formula C9H7ClF5N and a molecular weight of 259.61 g/mol. Its IUPAC name is (1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine
PubChem CID131403549
Molecular FormulaC9H7ClF5N
Molecular Weight259.61 g/mol
Exact Mass259.02
IUPAC Name(1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine
SMILESN[C@H](CC(F)(F)F)c1c(F)cc(Cl)cc1F
InChIInChI=1S/C9H7ClF5N/c10-4-1-5(11)8(6(12)2-4)7(16)3-9(13,14)15/h1-2,7H,3,16H2/t7-/m1/s1
InChIKeyGKWZTLSXQGPKPG-SSDOTTSWSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.61
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171210934
(1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103694258
(1R)-1-(4-chloro-2,6-difluorophenyl)-2-fluoroethanamine;hydrochloride
CID 171230517
(1R)-1-(5-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171202089
3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106881387
(1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride
CID 171210929
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171215302
(1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171209449
(1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 131294993
1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 43197844
(1S)-1-(3,6-dichloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171235270
(1S)-1-(2-bromo-4-chlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171223347

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of (1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine (CID 131403549) is (1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for (1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for (1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine is N[C@H](CC(F)(F)F)c1c(F)cc(Cl)cc1F.
What is the InChIKey of (1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is GKWZTLSXQGPKPG-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H7ClF5N/c10-4-1-5(11)8(6(12)2-4)7(16)3-9(13,14)15/h1-2,7H,3,16H2/t7-/m1/s1.
What are the key properties of (1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine?
(1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 259.61 g/mol, XLogP of 3.57, 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-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 131403549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).