(1R)-3,3-difluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride

C10H10ClF6N — CID 171313739

IUPAC(1R)-3,3-difluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)F)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C10H9F6N.ClH/c11-7-3-5(10(14,15)16)1-2-6(7)8(17)4-9(12)13;/h1-3,8-9H,4,17H2;1H/t8-;/m1./s1
InChIKeyOKRIMMUDVGMTJP-DDWIOCJRSA-N
MW293.64 g/mol
LogP3.92
Rot. Bonds3

About (1R)-3,3-difluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride

(1R)-3,3-difluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride (PubChem CID 171313739) has the molecular formula C10H10ClF6N and a molecular weight of 293.64 g/mol. Its IUPAC name is (1R)-3,3-difluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-3,3-difluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
PubChem CID171313739
Molecular FormulaC10H10ClF6N
Molecular Weight293.64 g/mol
Exact Mass293.04
IUPAC Name(1R)-3,3-difluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)F)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C10H9F6N.ClH/c11-7-3-5(10(14,15)16)1-2-6(7)8(17)4-9(12)13;/h1-3,8-9H,4,17H2;1H/t8-;/m1./s1
InChIKeyOKRIMMUDVGMTJP-DDWIOCJRSA-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

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Related Compounds

(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171226937
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171207363
(1R)-2-fluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 131344633
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207356
(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride
CID 171313733
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine
CID 171313176
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
CID 171207355
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171226925
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbut-3-en-1-amine;hydrochloride
CID 171226961
(1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine
CID 131289236
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 71074659
(1R)-3,3-difluoro-1-[4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313460

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3-difluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The IUPAC name of (1R)-3,3-difluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride (CID 171313739) is (1R)-3,3-difluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-3,3-difluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-3,3-difluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride is Cl.N[C@H](CC(F)F)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of (1R)-3,3-difluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The InChIKey is OKRIMMUDVGMTJP-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H9F6N.ClH/c11-7-3-5(10(14,15)16)1-2-6(7)8(17)4-9(12)13;/h1-3,8-9H,4,17H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-3,3-difluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
(1R)-3,3-difluoro-1-[2-fluoro-4-(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 (1R)-3,3-difluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 171313739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).