(E)-6,6-difluoro-5-methyl-1-phenylhept-4-en-3-ol

C14H18F2O — CID 11536037

IUPAC(E)-6,6-difluoro-5-methyl-1-phenylhept-4-en-3-ol
SMILESC/C(=C\C(O)CCc1ccccc1)C(C)(F)F
InChIInChI=1S/C14H18F2O/c1-11(14(2,15)16)10-13(17)9-8-12-6-4-3-5-7-12/h3-7,10,13,17H,8-9H2,1-2H3/b11-10+
InChIKeyAWEOKPOWZXXHHN-ZHACJKMWSA-N
MW240.29 g/mol
LogP3.58
Rot. Bonds5

About (E)-6,6-difluoro-5-methyl-1-phenylhept-4-en-3-ol

(E)-6,6-difluoro-5-methyl-1-phenylhept-4-en-3-ol (PubChem CID 11536037) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is (E)-6,6-difluoro-5-methyl-1-phenylhept-4-en-3-ol.

Molecular Properties

Compound Name(E)-6,6-difluoro-5-methyl-1-phenylhept-4-en-3-ol
PubChem CID11536037
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name(E)-6,6-difluoro-5-methyl-1-phenylhept-4-en-3-ol
SMILESC/C(=C\C(O)CCc1ccccc1)C(C)(F)F
InChIInChI=1S/C14H18F2O/c1-11(14(2,15)16)10-13(17)9-8-12-6-4-3-5-7-12/h3-7,10,13,17H,8-9H2,1-2H3/b11-10+
InChIKeyAWEOKPOWZXXHHN-ZHACJKMWSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-6,6-difluoro-5-methyl-1-phenylhept-4-en-3-ol?
The IUPAC name of (E)-6,6-difluoro-5-methyl-1-phenylhept-4-en-3-ol (CID 11536037) is (E)-6,6-difluoro-5-methyl-1-phenylhept-4-en-3-ol.
What is the SMILES notation for (E)-6,6-difluoro-5-methyl-1-phenylhept-4-en-3-ol?
The canonical SMILES for (E)-6,6-difluoro-5-methyl-1-phenylhept-4-en-3-ol is C/C(=C\C(O)CCc1ccccc1)C(C)(F)F.
What is the InChIKey of (E)-6,6-difluoro-5-methyl-1-phenylhept-4-en-3-ol?
The InChIKey is AWEOKPOWZXXHHN-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H18F2O/c1-11(14(2,15)16)10-13(17)9-8-12-6-4-3-5-7-12/h3-7,10,13,17H,8-9H2,1-2H3/b11-10+.
What are the key properties of (E)-6,6-difluoro-5-methyl-1-phenylhept-4-en-3-ol?
(E)-6,6-difluoro-5-methyl-1-phenylhept-4-en-3-ol has a molecular weight of 240.29 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6-difluoro-5-methyl-1-phenylhept-4-en-3-ol is sourced from PubChem (CID 11536037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).