(1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine

C9H7F6N — CID 131585699

IUPAC(1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
SMILESN[C@@H](c1c(F)cccc1C(F)(F)F)C(F)F
InChIInChI=1S/C9H7F6N/c10-5-3-1-2-4(9(13,14)15)6(5)7(16)8(11)12/h1-3,7-8H,16H2/t7-/m0/s1
InChIKeyPWJIBMMZSRYPNE-ZETCQYMHSA-N
MW243.15 g/mol
LogP3.11
Rot. Bonds2

About (1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine

(1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine (PubChem CID 131585699) has the molecular formula C9H7F6N and a molecular weight of 243.15 g/mol. Its IUPAC name is (1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
PubChem CID131585699
Molecular FormulaC9H7F6N
Molecular Weight243.15 g/mol
Exact Mass243.05
IUPAC Name(1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
SMILESN[C@@H](c1c(F)cccc1C(F)(F)F)C(F)F
InChIInChI=1S/C9H7F6N/c10-5-3-1-2-4(9(13,14)15)6(5)7(16)8(11)12/h1-3,7-8H,16H2/t7-/m0/s1
InChIKeyPWJIBMMZSRYPNE-ZETCQYMHSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242250
(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol
CID 171269053
2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
CID 77129940
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propane-1,3-diamine;hydrochloride
CID 171227307
(1R,2S)-2-amino-1-cyclopentyl-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
CID 171269045
2-(dichloromethyl)-1-fluoro-3-(trifluoromethyl)benzene
CID 16743979
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171227313
(1S)-4,4,4-trifluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]butan-1-amine
CID 171227329
(2S)-2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid
CID 66512908
(1R,2S)-1-amino-1-[2-fluoro-6-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol
CID 171263389
(1R,2S)-1-amino-1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-methylhexan-2-ol;hydrochloride
CID 171263388
(3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol
CID 171227356

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine (CID 131585699) is (1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine is N[C@@H](c1c(F)cccc1C(F)(F)F)C(F)F.
What is the InChIKey of (1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is PWJIBMMZSRYPNE-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H7F6N/c10-5-3-1-2-4(9(13,14)15)6(5)7(16)8(11)12/h1-3,7-8H,16H2/t7-/m0/s1.
What are the key properties of (1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine?
(1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 243.15 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 131585699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).