(1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride

C9H9ClF5N — CID 171204248

IUPAC(1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1cc(F)ccc1F
InChIInChI=1S/C9H8F5N.ClH/c10-5-1-2-7(11)6(3-5)8(15)4-9(12,13)14;/h1-3,8H,4,15H2;1H/t8-;/m1./s1
InChIKeyNCLXSFZVIBTQFE-DDWIOCJRSA-N
MW261.62 g/mol
LogP3.34
Rot. Bonds2

About (1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride

(1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride (PubChem CID 171204248) has the molecular formula C9H9ClF5N and a molecular weight of 261.62 g/mol. Its IUPAC name is (1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
PubChem CID171204248
Molecular FormulaC9H9ClF5N
Molecular Weight261.62 g/mol
Exact Mass261.03
IUPAC Name(1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1cc(F)ccc1F
InChIInChI=1S/C9H8F5N.ClH/c10-5-1-2-7(11)6(3-5)8(15)4-9(12,13)14;/h1-3,8H,4,15H2;1H/t8-;/m1./s1
InChIKeyNCLXSFZVIBTQFE-DDWIOCJRSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.62
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 43197844
(1R)-1-(5-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171202089
(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171209536
(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-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine
CID 116933552
3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 62790891
1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693361
(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine
CID 171216239
(1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine
CID 103693865
(1S)-1-(2,5-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171223814
(1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103694258

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride (CID 171204248) is (1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride is Cl.N[C@H](CC(F)(F)F)c1cc(F)ccc1F.
What is the InChIKey of (1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride?
The InChIKey is NCLXSFZVIBTQFE-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H8F5N.ClH/c10-5-1-2-7(11)6(3-5)8(15)4-9(12,13)14;/h1-3,8H,4,15H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride?
(1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride has a molecular weight of 261.62 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171204248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).