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

C11H11F3O2 — CID 103971309

IUPAC(E)-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-ol
SMILESCC(O)/C=C/c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H11F3O2/c1-8(15)6-7-9-4-2-3-5-10(9)16-11(12,13)14/h2-8,15H,1H3/b7-6+
InChIKeyMGHJLMHOGDZQEH-VOTSOKGWSA-N
MW232.20 g/mol
LogP2.98
Rot. Bonds3

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

(E)-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-ol (PubChem CID 103971309) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is (E)-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-ol
PubChem CID103971309
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name(E)-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-ol
SMILESCC(O)/C=C/c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H11F3O2/c1-8(15)6-7-9-4-2-3-5-10(9)16-11(12,13)14/h2-8,15H,1H3/b7-6+
InChIKeyMGHJLMHOGDZQEH-VOTSOKGWSA-N
XLogP2.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methoxyphenyl)but-3-en-2-ol
CID 72800651
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol
CID 79334184
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-amine
CID 79321888
(S)-chloro-[2-(trifluoromethoxy)phenyl]methanol
CID 130359004
S-[3-[2-(trifluoromethoxy)phenyl]prop-2-enyl] ethanethioate
CID 169457765
(E)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 110026560
(E)-N-[2-(propan-2-ylcarbamoylamino)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 60555480
2-[4-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]phenoxy]propanoic acid
CID 24561718
N-ethyl-4-[2-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 79592283
(E)-4-naphthalen-1-ylbut-3-en-2-ol
CID 13482503
2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol
CID 79334281
[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enyl] formate
CID 173173507

Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-ol?
The IUPAC name of (E)-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-ol (CID 103971309) is (E)-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-ol.
What is the SMILES notation for (E)-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-ol?
The canonical SMILES for (E)-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-ol is CC(O)/C=C/c1ccccc1OC(F)(F)F.
What is the InChIKey of (E)-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-ol?
The InChIKey is MGHJLMHOGDZQEH-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-8(15)6-7-9-4-2-3-5-10(9)16-11(12,13)14/h2-8,15H,1H3/b7-6+.
What are the key properties of (E)-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-ol?
(E)-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-ol has a molecular weight of 232.20 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-ol is sourced from PubChem (CID 103971309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).