(E)-2,2-difluoro-5-phenylpent-3-en-1-ol

C11H12F2O — CID 177415471

IUPAC(E)-2,2-difluoro-5-phenylpent-3-en-1-ol
SMILESOCC(F)(F)/C=C/Cc1ccccc1
InChIInChI=1S/C11H12F2O/c12-11(13,9-14)8-4-7-10-5-2-1-3-6-10/h1-6,8,14H,7,9H2/b8-4+
InChIKeyBPLSSJCOBRNLGC-XBXARRHUSA-N
MW198.21 g/mol
LogP2.41
Rot. Bonds4

About (E)-2,2-difluoro-5-phenylpent-3-en-1-ol

(E)-2,2-difluoro-5-phenylpent-3-en-1-ol (PubChem CID 177415471) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is (E)-2,2-difluoro-5-phenylpent-3-en-1-ol.

Molecular Properties

Compound Name(E)-2,2-difluoro-5-phenylpent-3-en-1-ol
PubChem CID177415471
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name(E)-2,2-difluoro-5-phenylpent-3-en-1-ol
SMILESOCC(F)(F)/C=C/Cc1ccccc1
InChIInChI=1S/C11H12F2O/c12-11(13,9-14)8-4-7-10-5-2-1-3-6-10/h1-6,8,14H,7,9H2/b8-4+
InChIKeyBPLSSJCOBRNLGC-XBXARRHUSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 52.41
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)-2,2-difluoro-5-phenylpent-3-en-1-ol?
The IUPAC name of (E)-2,2-difluoro-5-phenylpent-3-en-1-ol (CID 177415471) is (E)-2,2-difluoro-5-phenylpent-3-en-1-ol.
What is the SMILES notation for (E)-2,2-difluoro-5-phenylpent-3-en-1-ol?
The canonical SMILES for (E)-2,2-difluoro-5-phenylpent-3-en-1-ol is OCC(F)(F)/C=C/Cc1ccccc1.
What is the InChIKey of (E)-2,2-difluoro-5-phenylpent-3-en-1-ol?
The InChIKey is BPLSSJCOBRNLGC-XBXARRHUSA-N. The full InChI is InChI=1S/C11H12F2O/c12-11(13,9-14)8-4-7-10-5-2-1-3-6-10/h1-6,8,14H,7,9H2/b8-4+.
What are the key properties of (E)-2,2-difluoro-5-phenylpent-3-en-1-ol?
(E)-2,2-difluoro-5-phenylpent-3-en-1-ol has a molecular weight of 198.21 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-difluoro-5-phenylpent-3-en-1-ol is sourced from PubChem (CID 177415471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).