(Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol

C12H10F6O — CID 118168632

IUPAC(Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol
SMILESOCC/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H10F6O/c13-11(14,15)9-5-8(3-1-2-4-19)6-10(7-9)12(16,17)18/h1,3,5-7,19H,2,4H2/b3-1-
InChIKeyCAPQPGIXGKNXCP-IWQZZHSRSA-N
MW284.20 g/mol
LogP4.12
Rot. Bonds3

About (Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol

(Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol (PubChem CID 118168632) has the molecular formula C12H10F6O and a molecular weight of 284.20 g/mol. Its IUPAC name is (Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol.

Molecular Properties

Compound Name(Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol
PubChem CID118168632
Molecular FormulaC12H10F6O
Molecular Weight284.20 g/mol
Exact Mass284.06
IUPAC Name(Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol
SMILESOCC/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H10F6O/c13-11(14,15)9-5-8(3-1-2-4-19)6-10(7-9)12(16,17)18/h1,3,5-7,19H,2,4H2/b3-1-
InChIKeyCAPQPGIXGKNXCP-IWQZZHSRSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477050
N-[4-[(E)-4-hydroxybut-1-enyl]-2,6-di(propan-2-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 162366533
4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol
CID 170476886
4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]but-3-en-1-ol
CID 170477660
3-(4-hydroxybut-1-enyl)-5-(trifluoromethoxy)benzaldehyde
CID 170477457
1-chloro-3-(4-chlorobut-1-enyl)-5-(trifluoromethyl)benzene
CID 170499630
3-(4-aminobut-1-enyl)-5-(trifluoromethyl)aniline
CID 170487535
3-(4-chlorobut-1-enyl)-5-(trifluoromethyl)benzoic acid
CID 170500039
4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477046
1-(4-bromobut-1-enyl)-3-chloro-5-(trifluoromethyl)benzene
CID 170497935
4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477031
S-[4-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl] ethanethioate
CID 170480620

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol?
The IUPAC name of (Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol (CID 118168632) is (Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol.
What is the SMILES notation for (Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol?
The canonical SMILES for (Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol is OCC/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol?
The InChIKey is CAPQPGIXGKNXCP-IWQZZHSRSA-N. The full InChI is InChI=1S/C12H10F6O/c13-11(14,15)9-5-8(3-1-2-4-19)6-10(7-9)12(16,17)18/h1,3,5-7,19H,2,4H2/b3-1-.
What are the key properties of (Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol?
(Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol has a molecular weight of 284.20 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol is sourced from PubChem (CID 118168632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).