(1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine

C9H9ClF3N — CID 131514885

IUPAC(1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine
SMILESN[C@@H](CC(F)F)c1cc(Cl)ccc1F
InChIInChI=1S/C9H9ClF3N/c10-5-1-2-7(11)6(3-5)8(14)4-9(12)13/h1-3,8-9H,4,14H2/t8-/m0/s1
InChIKeyUKGWYLVHQLDBNY-QMMMGPOBSA-N
MW223.63 g/mol
LogP3.13
Rot. Bonds3

About (1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine

(1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine (PubChem CID 131514885) has the molecular formula C9H9ClF3N and a molecular weight of 223.63 g/mol. Its IUPAC name is (1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine
PubChem CID131514885
Molecular FormulaC9H9ClF3N
Molecular Weight223.63 g/mol
Exact Mass223.04
IUPAC Name(1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine
SMILESN[C@@H](CC(F)F)c1cc(Cl)ccc1F
InChIInChI=1S/C9H9ClF3N/c10-5-1-2-7(11)6(3-5)8(14)4-9(12)13/h1-3,8-9H,4,14H2/t8-/m0/s1
InChIKeyUKGWYLVHQLDBNY-QMMMGPOBSA-N
XLogP3.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.63
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1R)-1-amino-3,3-difluoropropyl]-4-chloroaniline
CID 171313952
(1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine
CID 131456103
(1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313978
(1S)-1-(2-bromo-4-chlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313001
1-(5-chloro-2-fluorophenyl)-3-methylbutane-1,4-diamine
CID 116934210
(1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313878
1-(5-chloro-2-fluorophenyl)butane-1,4-diamine
CID 116933749
1-(5-chloro-2-fluorophenyl)-2-methylsulfanylethanamine
CID 116830315
(1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride
CID 171312830
1-(5-chloro-2-fluorophenyl)but-3-en-1-amine
CID 55270710
(1R)-1-(5-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171202089
1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine
CID 114885921

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine?
The IUPAC name of (1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine (CID 131514885) is (1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine.
What is the SMILES notation for (1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine?
The canonical SMILES for (1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine is N[C@@H](CC(F)F)c1cc(Cl)ccc1F.
What is the InChIKey of (1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine?
The InChIKey is UKGWYLVHQLDBNY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9ClF3N/c10-5-1-2-7(11)6(3-5)8(14)4-9(12)13/h1-3,8-9H,4,14H2/t8-/m0/s1.
What are the key properties of (1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine?
(1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine has a molecular weight of 223.63 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine is sourced from PubChem (CID 131514885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).