[(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]azanide

C8H5F5N- — CID 157305929

IUPAC[(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]azanide
SMILES[NH-][C@@H](c1ccc(F)cc1F)C(F)(F)F
InChIInChI=1S/C8H5F5N/c9-4-1-2-5(6(10)3-4)7(14)8(11,12)13/h1-3,7,14H/q-1/t7-/m0/s1
InChIKeyBCLVCSCBBJMCBM-ZETCQYMHSA-N
MW210.12 g/mol
LogP3.62
Rot. Bonds1

About [(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]azanide

[(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]azanide (PubChem CID 157305929) has the molecular formula C8H5F5N- and a molecular weight of 210.12 g/mol. Its IUPAC name is [(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]azanide.

Molecular Properties

Compound Name[(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]azanide
PubChem CID157305929
Molecular FormulaC8H5F5N-
Molecular Weight210.12 g/mol
Exact Mass210.03
IUPAC Name[(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]azanide
SMILES[NH-][C@@H](c1ccc(F)cc1F)C(F)(F)F
InChIInChI=1S/C8H5F5N/c9-4-1-2-5(6(10)3-4)7(14)8(11,12)13/h1-3,7,14H/q-1/t7-/m0/s1
InChIKeyBCLVCSCBBJMCBM-ZETCQYMHSA-N
XLogP3.62
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103310549
(2,4-difluorophenyl)methanediamine
CID 116939170
(2,4-difluorophenyl)methanediol
CID 91089962
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
1-(2,4-difluorophenyl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 61086809
(2,4-difluorophenyl)-(dimethylamino)methanol
CID 116909567
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 43197752
2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene
CID 121459140
(1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine
CID 28973274
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-fluorophenol
CID 66511072
1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine
CID 89477372
(1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine
CID 66512623

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]azanide?
The IUPAC name of [(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]azanide (CID 157305929) is [(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]azanide.
What is the SMILES notation for [(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]azanide?
The canonical SMILES for [(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]azanide is [NH-][C@@H](c1ccc(F)cc1F)C(F)(F)F.
What is the InChIKey of [(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]azanide?
The InChIKey is BCLVCSCBBJMCBM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H5F5N/c9-4-1-2-5(6(10)3-4)7(14)8(11,12)13/h1-3,7,14H/q-1/t7-/m0/s1.
What are the key properties of [(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]azanide?
[(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]azanide has a molecular weight of 210.12 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]azanide is sourced from PubChem (CID 157305929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).