3-fluoro-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol

C10H8F4O — CID 70428934

IUPAC3-fluoro-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol
SMILESOC(C=CF)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H8F4O/c11-6-5-9(15)7-3-1-2-4-8(7)10(12,13)14/h1-6,9,15H
InChIKeyKKGUTSFNUMJHCT-UHFFFAOYSA-N
MW220.17 g/mol
LogP3.22
Rot. Bonds2

About 3-fluoro-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol

3-fluoro-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol (PubChem CID 70428934) has the molecular formula C10H8F4O and a molecular weight of 220.17 g/mol. Its IUPAC name is 3-fluoro-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-fluoro-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol
PubChem CID70428934
Molecular FormulaC10H8F4O
Molecular Weight220.17 g/mol
Exact Mass220.05
IUPAC Name3-fluoro-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol
SMILESOC(C=CF)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H8F4O/c11-6-5-9(15)7-3-1-2-4-8(7)10(12,13)14/h1-6,9,15H
InChIKeyKKGUTSFNUMJHCT-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The IUPAC name of 3-fluoro-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol (CID 70428934) is 3-fluoro-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for 3-fluoro-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The canonical SMILES for 3-fluoro-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol is OC(C=CF)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-fluoro-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The InChIKey is KKGUTSFNUMJHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O/c11-6-5-9(15)7-3-1-2-4-8(7)10(12,13)14/h1-6,9,15H.
What are the key properties of 3-fluoro-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol?
3-fluoro-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol has a molecular weight of 220.17 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 70428934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).