4-[(2E,4E)-5-[difluoro(phosphanyl)methyl]hepta-2,4,6-trien-2-yl]cyclohexa-1,5-dien-1-ol

C14H17F2OP — CID 143276183

IUPAC4-[(2E,4E)-5-[difluoro(phosphanyl)methyl]hepta-2,4,6-trien-2-yl]cyclohexa-1,5-dien-1-ol
SMILESC=C/C(=C\C=C(/C)C1C=CC(O)=CC1)C(F)(F)P
InChIInChI=1S/C14H17F2OP/c1-3-12(14(15,16)18)7-4-10(2)11-5-8-13(17)9-6-11/h3-5,7-9,11,17H,1,6,18H2,2H3/b10-4+,12-7+
InChIKeyZYFMABKGNFCLFO-CMLRWQBOSA-N
MW270.26 g/mol
LogP4.53
Rot. Bonds4

About 4-[(2E,4E)-5-[difluoro(phosphanyl)methyl]hepta-2,4,6-trien-2-yl]cyclohexa-1,5-dien-1-ol

4-[(2E,4E)-5-[difluoro(phosphanyl)methyl]hepta-2,4,6-trien-2-yl]cyclohexa-1,5-dien-1-ol (PubChem CID 143276183) has the molecular formula C14H17F2OP and a molecular weight of 270.26 g/mol. Its IUPAC name is 4-[(2E,4E)-5-[difluoro(phosphanyl)methyl]hepta-2,4,6-trien-2-yl]cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-[(2E,4E)-5-[difluoro(phosphanyl)methyl]hepta-2,4,6-trien-2-yl]cyclohexa-1,5-dien-1-ol
PubChem CID143276183
Molecular FormulaC14H17F2OP
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name4-[(2E,4E)-5-[difluoro(phosphanyl)methyl]hepta-2,4,6-trien-2-yl]cyclohexa-1,5-dien-1-ol
SMILESC=C/C(=C\C=C(/C)C1C=CC(O)=CC1)C(F)(F)P
InChIInChI=1S/C14H17F2OP/c1-3-12(14(15,16)18)7-4-10(2)11-5-8-13(17)9-6-11/h3-5,7-9,11,17H,1,6,18H2,2H3/b10-4+,12-7+
InChIKeyZYFMABKGNFCLFO-CMLRWQBOSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4E)-5-[difluoro(phosphanyl)methyl]hepta-2,4,6-trien-2-yl]cyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-[(2E,4E)-5-[difluoro(phosphanyl)methyl]hepta-2,4,6-trien-2-yl]cyclohexa-1,5-dien-1-ol (CID 143276183) is 4-[(2E,4E)-5-[difluoro(phosphanyl)methyl]hepta-2,4,6-trien-2-yl]cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-[(2E,4E)-5-[difluoro(phosphanyl)methyl]hepta-2,4,6-trien-2-yl]cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-[(2E,4E)-5-[difluoro(phosphanyl)methyl]hepta-2,4,6-trien-2-yl]cyclohexa-1,5-dien-1-ol is C=C/C(=C\C=C(/C)C1C=CC(O)=CC1)C(F)(F)P.
What is the InChIKey of 4-[(2E,4E)-5-[difluoro(phosphanyl)methyl]hepta-2,4,6-trien-2-yl]cyclohexa-1,5-dien-1-ol?
The InChIKey is ZYFMABKGNFCLFO-CMLRWQBOSA-N. The full InChI is InChI=1S/C14H17F2OP/c1-3-12(14(15,16)18)7-4-10(2)11-5-8-13(17)9-6-11/h3-5,7-9,11,17H,1,6,18H2,2H3/b10-4+,12-7+.
What are the key properties of 4-[(2E,4E)-5-[difluoro(phosphanyl)methyl]hepta-2,4,6-trien-2-yl]cyclohexa-1,5-dien-1-ol?
4-[(2E,4E)-5-[difluoro(phosphanyl)methyl]hepta-2,4,6-trien-2-yl]cyclohexa-1,5-dien-1-ol has a molecular weight of 270.26 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E)-5-[difluoro(phosphanyl)methyl]hepta-2,4,6-trien-2-yl]cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 143276183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).