(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine

C9H7F6N — CID 66511138

IUPAC(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine
SMILESN[C@@H](c1cc(F)ccc1C(F)F)C(F)(F)F
InChIInChI=1S/C9H7F6N/c10-4-1-2-5(8(11)12)6(3-4)7(16)9(13,14)15/h1-3,7-8H,16H2/t7-/m0/s1
InChIKeyLBVNPOSJJFSWMR-ZETCQYMHSA-N
MW243.15 g/mol
LogP3.33
Rot. Bonds2

About (1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine

(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine (PubChem CID 66511138) has the molecular formula C9H7F6N and a molecular weight of 243.15 g/mol. Its IUPAC name is (1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine
PubChem CID66511138
Molecular FormulaC9H7F6N
Molecular Weight243.15 g/mol
Exact Mass243.05
IUPAC Name(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine
SMILESN[C@@H](c1cc(F)ccc1C(F)F)C(F)(F)F
InChIInChI=1S/C9H7F6N/c10-4-1-2-5(8(11)12)6(3-4)7(16)9(13,14)15/h1-3,7-8H,16H2/t7-/m0/s1
InChIKeyLBVNPOSJJFSWMR-ZETCQYMHSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine
CID 66512623
(1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171247942
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-fluorophenol
CID 66511072
1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine
CID 51358639
(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine
CID 56971906
(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242667
(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 28966440
(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine
CID 130631832
(1S)-1-[4-(difluoromethyl)-3-fluorophenyl]-2,2,2-trifluoroethanamine
CID 66511140
(2R)-2-amino-2-[2-(difluoromethyl)-5-fluorophenyl]ethanol
CID 66514186
(1S)-2,2,2-trifluoro-1-(5-fluoro-2-nitrophenyl)ethanamine
CID 66510268
1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 46311777

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine?
The IUPAC name of (1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine (CID 66511138) is (1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for (1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine is N[C@@H](c1cc(F)ccc1C(F)F)C(F)(F)F.
What is the InChIKey of (1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine?
The InChIKey is LBVNPOSJJFSWMR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H7F6N/c10-4-1-2-5(8(11)12)6(3-4)7(16)9(13,14)15/h1-3,7-8H,16H2/t7-/m0/s1.
What are the key properties of (1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine?
(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine has a molecular weight of 243.15 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 66511138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).