(1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride

C10H10ClF6N — CID 171313161

IUPAC(1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
SMILESCl.N[C@@H](CC(F)F)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C10H9F6N.ClH/c11-5-1-2-7(10(14,15)16)6(3-5)8(17)4-9(12)13;/h1-3,8-9H,4,17H2;1H/t8-;/m0./s1
InChIKeyPTEIYPYWRJJWLE-QRPNPIFTSA-N
MW293.64 g/mol
LogP3.92
Rot. Bonds3

About (1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride

(1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride (PubChem CID 171313161) has the molecular formula C10H10ClF6N and a molecular weight of 293.64 g/mol. Its IUPAC name is (1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
PubChem CID171313161
Molecular FormulaC10H10ClF6N
Molecular Weight293.64 g/mol
Exact Mass293.04
IUPAC Name(1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
SMILESCl.N[C@@H](CC(F)F)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C10H9F6N.ClH/c11-5-1-2-7(10(14,15)16)6(3-5)8(17)4-9(12)13;/h1-3,8-9H,4,17H2;1H/t8-;/m0./s1
InChIKeyPTEIYPYWRJJWLE-QRPNPIFTSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.64
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentan-1-amine
CID 82923278
(1S)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313078
(1R)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313711
(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171228674
(1R)-2-cyclopropyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 171209096
2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride
CID 171313455
1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79016521
(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79021281
(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171228670
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171263834
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131252530
(1S,2R)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131490477

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The IUPAC name of (1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride (CID 171313161) is (1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride is Cl.N[C@@H](CC(F)F)c1cc(F)ccc1C(F)(F)F.
What is the InChIKey of (1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The InChIKey is PTEIYPYWRJJWLE-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H9F6N.ClH/c11-5-1-2-7(10(14,15)16)6(3-5)8(17)4-9(12)13;/h1-3,8-9H,4,17H2;1H/t8-;/m0./s1.
What are the key properties of (1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
(1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride has a molecular weight of 293.64 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 171313161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).