(E)-4,4,5,5,6,6,6-heptafluoro-1-(4-fluorophenyl)-2-methylhex-1-en-3-ol

C13H10F8O — CID 10568693

IUPAC(E)-4,4,5,5,6,6,6-heptafluoro-1-(4-fluorophenyl)-2-methylhex-1-en-3-ol
SMILESC/C(=C\c1ccc(F)cc1)C(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H10F8O/c1-7(6-8-2-4-9(14)5-3-8)10(22)11(15,16)12(17,18)13(19,20)21/h2-6,10,22H,1H3/b7-6+
InChIKeyLJAZQJJVFCHPND-VOTSOKGWSA-N
MW334.21 g/mol
LogP4.42
Rot. Bonds4

About (E)-4,4,5,5,6,6,6-heptafluoro-1-(4-fluorophenyl)-2-methylhex-1-en-3-ol

(E)-4,4,5,5,6,6,6-heptafluoro-1-(4-fluorophenyl)-2-methylhex-1-en-3-ol (PubChem CID 10568693) has the molecular formula C13H10F8O and a molecular weight of 334.21 g/mol. Its IUPAC name is (E)-4,4,5,5,6,6,6-heptafluoro-1-(4-fluorophenyl)-2-methylhex-1-en-3-ol.

Molecular Properties

Compound Name(E)-4,4,5,5,6,6,6-heptafluoro-1-(4-fluorophenyl)-2-methylhex-1-en-3-ol
PubChem CID10568693
Molecular FormulaC13H10F8O
Molecular Weight334.21 g/mol
Exact Mass334.06
IUPAC Name(E)-4,4,5,5,6,6,6-heptafluoro-1-(4-fluorophenyl)-2-methylhex-1-en-3-ol
SMILESC/C(=C\c1ccc(F)cc1)C(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H10F8O/c1-7(6-8-2-4-9(14)5-3-8)10(22)11(15,16)12(17,18)13(19,20)21/h2-6,10,22H,1H3/b7-6+
InChIKeyLJAZQJJVFCHPND-VOTSOKGWSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (E)-4,4,5,5,6,6,6-heptafluoro-1-(4-fluorophenyl)-2-methylhex-1-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(2-bromophenyl)-4,4,5,5,6,6,6-heptafluoro-2-methylhex-1-en-3-ol
CID 10644377
1-fluoro-4-(2,4,4-trimethyl-3-nitrosopent-1-enyl)benzene
CID 90844040
(E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol
CID 10703917
(E)-3-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]but-3-en-2-ol
CID 103091265
(Z)-1-(4-fluorophenyl)-3,3-dimethylbut-1-en-2-ol
CID 59942455
1-(4-ethenylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-ol
CID 87974106
3-(4-fluorophenyl)-2-methylprop-2-enenitrile
CID 4610546
3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one
CID 101051486
(E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol
CID 10866732
2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol
CID 79335798
N-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine
CID 173132678
1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-4-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene
CID 125477686

Frequently Asked Questions

What is the IUPAC name of (E)-4,4,5,5,6,6,6-heptafluoro-1-(4-fluorophenyl)-2-methylhex-1-en-3-ol?
The IUPAC name of (E)-4,4,5,5,6,6,6-heptafluoro-1-(4-fluorophenyl)-2-methylhex-1-en-3-ol (CID 10568693) is (E)-4,4,5,5,6,6,6-heptafluoro-1-(4-fluorophenyl)-2-methylhex-1-en-3-ol.
What is the SMILES notation for (E)-4,4,5,5,6,6,6-heptafluoro-1-(4-fluorophenyl)-2-methylhex-1-en-3-ol?
The canonical SMILES for (E)-4,4,5,5,6,6,6-heptafluoro-1-(4-fluorophenyl)-2-methylhex-1-en-3-ol is C/C(=C\c1ccc(F)cc1)C(O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-4,4,5,5,6,6,6-heptafluoro-1-(4-fluorophenyl)-2-methylhex-1-en-3-ol?
The InChIKey is LJAZQJJVFCHPND-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H10F8O/c1-7(6-8-2-4-9(14)5-3-8)10(22)11(15,16)12(17,18)13(19,20)21/h2-6,10,22H,1H3/b7-6+.
What are the key properties of (E)-4,4,5,5,6,6,6-heptafluoro-1-(4-fluorophenyl)-2-methylhex-1-en-3-ol?
(E)-4,4,5,5,6,6,6-heptafluoro-1-(4-fluorophenyl)-2-methylhex-1-en-3-ol has a molecular weight of 334.21 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,5,5,6,6,6-heptafluoro-1-(4-fluorophenyl)-2-methylhex-1-en-3-ol is sourced from PubChem (CID 10568693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).