(1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride

C9H8ClF6N — CID 171242848

IUPAC(1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCl.N[C@H](c1cc(C(F)(F)F)ccc1F)C(F)F
InChIInChI=1S/C9H7F6N.ClH/c10-6-2-1-4(9(13,14)15)3-5(6)7(16)8(11)12;/h1-3,7-8H,16H2;1H/t7-;/m1./s1
InChIKeyNTCNOUQCZBWUIC-OGFXRTJISA-N
MW279.61 g/mol
LogP3.53
Rot. Bonds2

About (1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride

(1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride (PubChem CID 171242848) has the molecular formula C9H8ClF6N and a molecular weight of 279.61 g/mol. Its IUPAC name is (1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride
PubChem CID171242848
Molecular FormulaC9H8ClF6N
Molecular Weight279.61 g/mol
Exact Mass279.02
IUPAC Name(1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCl.N[C@H](c1cc(C(F)(F)F)ccc1F)C(F)F
InChIInChI=1S/C9H7F6N.ClH/c10-6-2-1-4(9(13,14)15)3-5(6)7(16)8(11)12;/h1-3,7-8H,16H2;1H/t7-;/m1./s1
InChIKeyNTCNOUQCZBWUIC-OGFXRTJISA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.61
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171249579
(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2-difluoroethanamine;hydrochloride
CID 171249850
(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171209536
(1S,2R)-2-amino-1-cyclopentyl-2-[2-fluoro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171160000
(1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentan-2-ol;hydrochloride
CID 171161446
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278
(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171209518
(1S)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171251769
(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171229157
(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171229145
(3S)-3-amino-3-[2-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171242854
(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171209520

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The IUPAC name of (1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride (CID 171242848) is (1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for (1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride is Cl.N[C@H](c1cc(C(F)(F)F)ccc1F)C(F)F.
What is the InChIKey of (1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The InChIKey is NTCNOUQCZBWUIC-OGFXRTJISA-N. The full InChI is InChI=1S/C9H7F6N.ClH/c10-6-2-1-4(9(13,14)15)3-5(6)7(16)8(11)12;/h1-3,7-8H,16H2;1H/t7-;/m1./s1.
What are the key properties of (1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
(1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride has a molecular weight of 279.61 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 171242848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).