(E)-2,2-difluoro-1-phenyldec-3-en-1-ol

C16H22F2O — CID 11821614

IUPAC(E)-2,2-difluoro-1-phenyldec-3-en-1-ol
SMILESCCCCCC/C=C/C(F)(F)C(O)c1ccccc1
InChIInChI=1S/C16H22F2O/c1-2-3-4-5-6-10-13-16(17,18)15(19)14-11-8-7-9-12-14/h7-13,15,19H,2-6H2,1H3/b13-10+
InChIKeyOZLNXPMIVRLXIX-JLHYYAGUSA-N
MW268.35 g/mol
LogP4.88
Rot. Bonds8

About (E)-2,2-difluoro-1-phenyldec-3-en-1-ol

(E)-2,2-difluoro-1-phenyldec-3-en-1-ol (PubChem CID 11821614) has the molecular formula C16H22F2O and a molecular weight of 268.35 g/mol. Its IUPAC name is (E)-2,2-difluoro-1-phenyldec-3-en-1-ol.

Molecular Properties

Compound Name(E)-2,2-difluoro-1-phenyldec-3-en-1-ol
PubChem CID11821614
Molecular FormulaC16H22F2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC Name(E)-2,2-difluoro-1-phenyldec-3-en-1-ol
SMILESCCCCCC/C=C/C(F)(F)C(O)c1ccccc1
InChIInChI=1S/C16H22F2O/c1-2-3-4-5-6-10-13-16(17,18)15(19)14-11-8-7-9-12-14/h7-13,15,19H,2-6H2,1H3/b13-10+
InChIKeyOZLNXPMIVRLXIX-JLHYYAGUSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2,2-difluoro-1-phenyldec-3-en-1-ol
CID 102600669
(E,1R)-1-phenylnon-2-en-1-ol
CID 11287425
(E)-1-phenyloct-2-en-1-ol
CID 10822082
octadec-3-en-2-ylbenzene
CID 140717946
dodec-3-en-2-ylbenzene
CID 140717956
heptatriaconta-9,28-dien-19-ylbenzene
CID 173349242
(E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol
CID 101394418
(E,1S,2S)-2-butyl-2-methyl-1-phenylhex-3-en-1-ol
CID 102326663
(1R)-1-phenyloctan-1-ol
CID 12794259
2,2-difluoro-1-phenylbutan-1-ol
CID 15783630
(E,1S,2R)-1-phenyloct-3-ene-1,2-diol
CID 101054881
(E,4R)-4-phenyldodec-5-en-2-one
CID 11357371

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-difluoro-1-phenyldec-3-en-1-ol?
The IUPAC name of (E)-2,2-difluoro-1-phenyldec-3-en-1-ol (CID 11821614) is (E)-2,2-difluoro-1-phenyldec-3-en-1-ol.
What is the SMILES notation for (E)-2,2-difluoro-1-phenyldec-3-en-1-ol?
The canonical SMILES for (E)-2,2-difluoro-1-phenyldec-3-en-1-ol is CCCCCC/C=C/C(F)(F)C(O)c1ccccc1.
What is the InChIKey of (E)-2,2-difluoro-1-phenyldec-3-en-1-ol?
The InChIKey is OZLNXPMIVRLXIX-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H22F2O/c1-2-3-4-5-6-10-13-16(17,18)15(19)14-11-8-7-9-12-14/h7-13,15,19H,2-6H2,1H3/b13-10+.
What are the key properties of (E)-2,2-difluoro-1-phenyldec-3-en-1-ol?
(E)-2,2-difluoro-1-phenyldec-3-en-1-ol has a molecular weight of 268.35 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-difluoro-1-phenyldec-3-en-1-ol is sourced from PubChem (CID 11821614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).