4-[2-fluoro-4-(trifluoromethoxy)phenyl]but-3-en-1-ol

C11H10F4O2 — CID 170477398

IUPAC4-[2-fluoro-4-(trifluoromethoxy)phenyl]but-3-en-1-ol
SMILESOCCC=Cc1ccc(OC(F)(F)F)cc1F
InChIInChI=1S/C11H10F4O2/c12-10-7-9(17-11(13,14)15)5-4-8(10)3-1-2-6-16/h1,3-5,7,16H,2,6H2
InChIKeyJINAUPKUNMCQJN-UHFFFAOYSA-N
MW250.19 g/mol
LogP3.12
Rot. Bonds4

About 4-[2-fluoro-4-(trifluoromethoxy)phenyl]but-3-en-1-ol

4-[2-fluoro-4-(trifluoromethoxy)phenyl]but-3-en-1-ol (PubChem CID 170477398) has the molecular formula C11H10F4O2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 4-[2-fluoro-4-(trifluoromethoxy)phenyl]but-3-en-1-ol.

Molecular Properties

Compound Name4-[2-fluoro-4-(trifluoromethoxy)phenyl]but-3-en-1-ol
PubChem CID170477398
Molecular FormulaC11H10F4O2
Molecular Weight250.19 g/mol
Exact Mass250.06
IUPAC Name4-[2-fluoro-4-(trifluoromethoxy)phenyl]but-3-en-1-ol
SMILESOCCC=Cc1ccc(OC(F)(F)F)cc1F
InChIInChI=1S/C11H10F4O2/c12-10-7-9(17-11(13,14)15)5-4-8(10)3-1-2-6-16/h1,3-5,7,16H,2,6H2
InChIKeyJINAUPKUNMCQJN-UHFFFAOYSA-N
XLogP3.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477046
3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-en-1-ol
CID 169454110
3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 169464324
3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-ene-1-thiol
CID 169456007
4-[2-chloro-4-(trifluoromethoxy)phenyl]but-3-ene-1-thiol
CID 170479175
S-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]but-3-enyl] ethanethioate
CID 170480968
3-(4-hydroxybut-1-enyl)-5-(trifluoromethoxy)benzaldehyde
CID 170477457
(E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine
CID 103396908
3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-ene-1-thiol
CID 169456006
3-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
CID 170802201
4-(4-ethoxy-2-fluorophenyl)but-3-ene-1-thiol
CID 170478614
2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde
CID 58007717

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(trifluoromethoxy)phenyl]but-3-en-1-ol?
The IUPAC name of 4-[2-fluoro-4-(trifluoromethoxy)phenyl]but-3-en-1-ol (CID 170477398) is 4-[2-fluoro-4-(trifluoromethoxy)phenyl]but-3-en-1-ol.
What is the SMILES notation for 4-[2-fluoro-4-(trifluoromethoxy)phenyl]but-3-en-1-ol?
The canonical SMILES for 4-[2-fluoro-4-(trifluoromethoxy)phenyl]but-3-en-1-ol is OCCC=Cc1ccc(OC(F)(F)F)cc1F.
What is the InChIKey of 4-[2-fluoro-4-(trifluoromethoxy)phenyl]but-3-en-1-ol?
The InChIKey is JINAUPKUNMCQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O2/c12-10-7-9(17-11(13,14)15)5-4-8(10)3-1-2-6-16/h1,3-5,7,16H,2,6H2.
What are the key properties of 4-[2-fluoro-4-(trifluoromethoxy)phenyl]but-3-en-1-ol?
4-[2-fluoro-4-(trifluoromethoxy)phenyl]but-3-en-1-ol has a molecular weight of 250.19 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(trifluoromethoxy)phenyl]but-3-en-1-ol is sourced from PubChem (CID 170477398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).