[2-fluoro-3-(trifluoromethyl)anilino]methanol

C8H7F4NO — CID 143384342

IUPAC[2-fluoro-3-(trifluoromethyl)anilino]methanol
SMILESOCNc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C8H7F4NO/c9-7-5(8(10,11)12)2-1-3-6(7)13-4-14/h1-3,13-14H,4H2
InChIKeyHSWQUHGDCNVBRA-UHFFFAOYSA-N
MW209.14 g/mol
LogP2.21
Rot. Bonds2

About [2-fluoro-3-(trifluoromethyl)anilino]methanol

[2-fluoro-3-(trifluoromethyl)anilino]methanol (PubChem CID 143384342) has the molecular formula C8H7F4NO and a molecular weight of 209.14 g/mol. Its IUPAC name is [2-fluoro-3-(trifluoromethyl)anilino]methanol.

Molecular Properties

Compound Name[2-fluoro-3-(trifluoromethyl)anilino]methanol
PubChem CID143384342
Molecular FormulaC8H7F4NO
Molecular Weight209.14 g/mol
Exact Mass209.05
IUPAC Name[2-fluoro-3-(trifluoromethyl)anilino]methanol
SMILESOCNc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C8H7F4NO/c9-7-5(8(10,11)12)2-1-3-6(7)13-4-14/h1-3,13-14H,4H2
InChIKeyHSWQUHGDCNVBRA-UHFFFAOYSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(trifluoromethyl)anilino]methanol?
The IUPAC name of [2-fluoro-3-(trifluoromethyl)anilino]methanol (CID 143384342) is [2-fluoro-3-(trifluoromethyl)anilino]methanol.
What is the SMILES notation for [2-fluoro-3-(trifluoromethyl)anilino]methanol?
The canonical SMILES for [2-fluoro-3-(trifluoromethyl)anilino]methanol is OCNc1cccc(C(F)(F)F)c1F.
What is the InChIKey of [2-fluoro-3-(trifluoromethyl)anilino]methanol?
The InChIKey is HSWQUHGDCNVBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO/c9-7-5(8(10,11)12)2-1-3-6(7)13-4-14/h1-3,13-14H,4H2.
What are the key properties of [2-fluoro-3-(trifluoromethyl)anilino]methanol?
[2-fluoro-3-(trifluoromethyl)anilino]methanol has a molecular weight of 209.14 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(trifluoromethyl)anilino]methanol is sourced from PubChem (CID 143384342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).