(E)-4,4-difluoro-1-phenyldec-1-en-3-ol

C16H22F2O — CID 134948280

IUPAC(E)-4,4-difluoro-1-phenyldec-1-en-3-ol
SMILESCCCCCCC(F)(F)C(O)/C=C/c1ccccc1
InChIInChI=1S/C16H22F2O/c1-2-3-4-8-13-16(17,18)15(19)12-11-14-9-6-5-7-10-14/h5-7,9-12,15,19H,2-4,8,13H2,1H3/b12-11+
InChIKeyHVWINTSAEMDIEM-VAWYXSNFSA-N
MW268.35 g/mol
LogP4.67
Rot. Bonds8

About (E)-4,4-difluoro-1-phenyldec-1-en-3-ol

(E)-4,4-difluoro-1-phenyldec-1-en-3-ol (PubChem CID 134948280) has the molecular formula C16H22F2O and a molecular weight of 268.35 g/mol. Its IUPAC name is (E)-4,4-difluoro-1-phenyldec-1-en-3-ol.

Molecular Properties

Compound Name(E)-4,4-difluoro-1-phenyldec-1-en-3-ol
PubChem CID134948280
Molecular FormulaC16H22F2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC Name(E)-4,4-difluoro-1-phenyldec-1-en-3-ol
SMILESCCCCCCC(F)(F)C(O)/C=C/c1ccccc1
InChIInChI=1S/C16H22F2O/c1-2-3-4-8-13-16(17,18)15(19)12-11-14-9-6-5-7-10-14/h5-7,9-12,15,19H,2-4,8,13H2,1H3/b12-11+
InChIKeyHVWINTSAEMDIEM-VAWYXSNFSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4,4-difluoro-1-phenyldec-1-en-3-ol?
The IUPAC name of (E)-4,4-difluoro-1-phenyldec-1-en-3-ol (CID 134948280) is (E)-4,4-difluoro-1-phenyldec-1-en-3-ol.
What is the SMILES notation for (E)-4,4-difluoro-1-phenyldec-1-en-3-ol?
The canonical SMILES for (E)-4,4-difluoro-1-phenyldec-1-en-3-ol is CCCCCCC(F)(F)C(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-4,4-difluoro-1-phenyldec-1-en-3-ol?
The InChIKey is HVWINTSAEMDIEM-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H22F2O/c1-2-3-4-8-13-16(17,18)15(19)12-11-14-9-6-5-7-10-14/h5-7,9-12,15,19H,2-4,8,13H2,1H3/b12-11+.
What are the key properties of (E)-4,4-difluoro-1-phenyldec-1-en-3-ol?
(E)-4,4-difluoro-1-phenyldec-1-en-3-ol has a molecular weight of 268.35 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-difluoro-1-phenyldec-1-en-3-ol is sourced from PubChem (CID 134948280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).