1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine

C9H8ClF4N — CID 103693361

IUPAC1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)c1ccc(F)cc1Cl
InChIInChI=1S/C9H8ClF4N/c10-7-3-5(11)1-2-6(7)8(15)4-9(12,13)14/h1-3,8H,4,15H2
InChIKeyQALVIVYXRZOEAR-UHFFFAOYSA-N
MW241.62 g/mol
LogP3.43
Rot. Bonds2

About 1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine

1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 103693361) has the molecular formula C9H8ClF4N and a molecular weight of 241.62 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine
PubChem CID103693361
Molecular FormulaC9H8ClF4N
Molecular Weight241.62 g/mol
Exact Mass241.03
IUPAC Name1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)c1ccc(F)cc1Cl
InChIInChI=1S/C9H8ClF4N/c10-7-3-5(11)1-2-6(7)8(15)4-9(12,13)14/h1-3,8H,4,15H2
InChIKeyQALVIVYXRZOEAR-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.62
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine
CID 55270283
1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 43197844
(1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171204248
(1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103694258
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171232237
(1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 103694276
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 62790723
1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine
CID 62945198
(1R)-1-(2-chloro-4-fluorophenyl)pentane-1,5-diamine
CID 171204201
1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
CID 55152610
(1R)-1-(5-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171202089
(3S)-3-amino-3-(2-chloro-4-fluorophenyl)-2,2-difluoropropan-1-ol
CID 131260028

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine (CID 103693361) is 1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine is NC(CC(F)(F)F)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is QALVIVYXRZOEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF4N/c10-7-3-5(11)1-2-6(7)8(15)4-9(12,13)14/h1-3,8H,4,15H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine?
1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 241.62 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103693361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).