[4-fluoro-3-(2,2,2-trifluoroethylamino)phenyl]methanol

C9H9F4NO — CID 91361402

IUPAC[4-fluoro-3-(2,2,2-trifluoroethylamino)phenyl]methanol
SMILESOCc1ccc(F)c(NCC(F)(F)F)c1
InChIInChI=1S/C9H9F4NO/c10-7-2-1-6(4-15)3-8(7)14-5-9(11,12)13/h1-3,14-15H,4-5H2
InChIKeySSLUABKTQSDKAR-UHFFFAOYSA-N
MW223.17 g/mol
LogP2.29
Rot. Bonds3

About [4-fluoro-3-(2,2,2-trifluoroethylamino)phenyl]methanol

[4-fluoro-3-(2,2,2-trifluoroethylamino)phenyl]methanol (PubChem CID 91361402) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is [4-fluoro-3-(2,2,2-trifluoroethylamino)phenyl]methanol.

Molecular Properties

Compound Name[4-fluoro-3-(2,2,2-trifluoroethylamino)phenyl]methanol
PubChem CID91361402
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC Name[4-fluoro-3-(2,2,2-trifluoroethylamino)phenyl]methanol
SMILESOCc1ccc(F)c(NCC(F)(F)F)c1
InChIInChI=1S/C9H9F4NO/c10-7-2-1-6(4-15)3-8(7)14-5-9(11,12)13/h1-3,14-15H,4-5H2
InChIKeySSLUABKTQSDKAR-UHFFFAOYSA-N
XLogP2.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 28581729
3-(5-chloro-2-fluoroanilino)-2,2-dimethylpropan-1-ol
CID 81413950
[4-[(2,5-difluoroanilino)methyl]phenyl]methanol
CID 110006440
(3,4-difluorophenyl)methanol
CID 522833
3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol
CID 81414519
[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol
CID 83962679
2-bromo-4-chloro-N-(2,2,2-trifluoroethyl)aniline
CID 81270991
4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide
CID 81412227
2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline
CID 115257699
[2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol
CID 178139316
2-fluoro-4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 79187804
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 63036661

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(2,2,2-trifluoroethylamino)phenyl]methanol?
The IUPAC name of [4-fluoro-3-(2,2,2-trifluoroethylamino)phenyl]methanol (CID 91361402) is [4-fluoro-3-(2,2,2-trifluoroethylamino)phenyl]methanol.
What is the SMILES notation for [4-fluoro-3-(2,2,2-trifluoroethylamino)phenyl]methanol?
The canonical SMILES for [4-fluoro-3-(2,2,2-trifluoroethylamino)phenyl]methanol is OCc1ccc(F)c(NCC(F)(F)F)c1.
What is the InChIKey of [4-fluoro-3-(2,2,2-trifluoroethylamino)phenyl]methanol?
The InChIKey is SSLUABKTQSDKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO/c10-7-2-1-6(4-15)3-8(7)14-5-9(11,12)13/h1-3,14-15H,4-5H2.
What are the key properties of [4-fluoro-3-(2,2,2-trifluoroethylamino)phenyl]methanol?
[4-fluoro-3-(2,2,2-trifluoroethylamino)phenyl]methanol has a molecular weight of 223.17 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(2,2,2-trifluoroethylamino)phenyl]methanol is sourced from PubChem (CID 91361402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).