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

C9H8ClF4N — CID 103694258

IUPAC(1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine
SMILESN[C@H](CC(F)(F)F)c1ccc(Cl)cc1F
InChIInChI=1S/C9H8ClF4N/c10-5-1-2-6(7(11)3-5)8(15)4-9(12,13)14/h1-3,8H,4,15H2/t8-/m1/s1
InChIKeyQMVRZIXNSNBDJL-MRVPVSSYSA-N
MW241.62 g/mol
LogP3.43
Rot. Bonds2

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

(1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 103694258) has the molecular formula C9H8ClF4N and a molecular weight of 241.62 g/mol. Its IUPAC name is (1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine
PubChem CID103694258
Molecular FormulaC9H8ClF4N
Molecular Weight241.62 g/mol
Exact Mass241.03
IUPAC Name(1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine
SMILESN[C@H](CC(F)(F)F)c1ccc(Cl)cc1F
InChIInChI=1S/C9H8ClF4N/c10-5-1-2-6(7(11)3-5)8(15)4-9(12,13)14/h1-3,8H,4,15H2/t8-/m1/s1
InChIKeyQMVRZIXNSNBDJL-MRVPVSSYSA-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

(1R)-1-(5-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171202089
(1S)-1-(2-bromo-4-chlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171223347
(1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 131403549
(1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 131294993
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
CID 58878078
(1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171222464
(1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171210934
1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693361
1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 43197844
(1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine
CID 103693865
(1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171204248
(1S)-1-(4-chloro-2-fluorophenyl)pentane-1,5-diamine
CID 171222468

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of (1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine (CID 103694258) is (1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for (1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for (1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine is N[C@H](CC(F)(F)F)c1ccc(Cl)cc1F.
What is the InChIKey of (1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is QMVRZIXNSNBDJL-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8ClF4N/c10-5-1-2-6(7(11)3-5)8(15)4-9(12,13)14/h1-3,8H,4,15H2/t8-/m1/s1.
What are the key properties of (1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine?
(1R)-1-(4-chloro-2-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 (1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103694258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).