(1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride

C10H11ClF5N — CID 171204140

IUPAC(1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
SMILESCl.N[C@H](CCC(F)(F)F)c1cccc(F)c1F
InChIInChI=1S/C10H10F5N.ClH/c11-7-3-1-2-6(9(7)12)8(16)4-5-10(13,14)15;/h1-3,8H,4-5,16H2;1H/t8-;/m1./s1
InChIKeyNZSGEVNGMWZSSQ-DDWIOCJRSA-N
MW275.65 g/mol
LogP3.73
Rot. Bonds3

About (1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride

(1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride (PubChem CID 171204140) has the molecular formula C10H11ClF5N and a molecular weight of 275.65 g/mol. Its IUPAC name is (1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
PubChem CID171204140
Molecular FormulaC10H11ClF5N
Molecular Weight275.65 g/mol
Exact Mass275.05
IUPAC Name(1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
SMILESCl.N[C@H](CCC(F)(F)F)c1cccc(F)c1F
InChIInChI=1S/C10H10F5N.ClH/c11-7-3-1-2-6(9(7)12)8(16)4-5-10(13,14)15;/h1-3,8H,4-5,16H2;1H/t8-;/m1./s1
InChIKeyNZSGEVNGMWZSSQ-DDWIOCJRSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.65
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-4,4,4-trifluoro-1-(2-fluorophenyl)butan-1-amine;hydrochloride
CID 171218619
(1S)-1-(2,3-difluorophenyl)propane-1,3-diamine
CID 130986814
(1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171203694
(1S)-1-(3-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171228901
1-(2-bromo-3-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 104992921
(3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride
CID 171223730
(1R)-1-(2,3-difluorophenyl)butane-1,4-diamine
CID 171204126
(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
CID 130740137
(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride
CID 171204156
4-amino-4-(2,3-difluorophenyl)butan-1-ol
CID 170171841
1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 75480584
(1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313008

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride (CID 171204140) is (1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride is Cl.N[C@H](CCC(F)(F)F)c1cccc(F)c1F.
What is the InChIKey of (1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The InChIKey is NZSGEVNGMWZSSQ-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H10F5N.ClH/c11-7-3-1-2-6(9(7)12)8(16)4-5-10(13,14)15;/h1-3,8H,4-5,16H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
(1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride has a molecular weight of 275.65 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride is sourced from PubChem (CID 171204140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).