(3E)-2-(difluoromethyl)penta-1,3-dien-3-ol

C6H8F2O — CID 156725044

IUPAC(3E)-2-(difluoromethyl)penta-1,3-dien-3-ol
SMILESC=C(/C(O)=C\C)C(F)F
InChIInChI=1S/C6H8F2O/c1-3-5(9)4(2)6(7)8/h3,6,9H,2H2,1H3/b5-3+
InChIKeyBTUSTNKNHKPQCB-HWKANZROSA-N
MW134.12 g/mol
LogP2.27
Rot. Bonds2

About (3E)-2-(difluoromethyl)penta-1,3-dien-3-ol

(3E)-2-(difluoromethyl)penta-1,3-dien-3-ol (PubChem CID 156725044) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is (3E)-2-(difluoromethyl)penta-1,3-dien-3-ol.

Molecular Properties

Compound Name(3E)-2-(difluoromethyl)penta-1,3-dien-3-ol
PubChem CID156725044
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name(3E)-2-(difluoromethyl)penta-1,3-dien-3-ol
SMILESC=C(/C(O)=C\C)C(F)F
InChIInChI=1S/C6H8F2O/c1-3-5(9)4(2)6(7)8/h3,6,9H,2H2,1H3/b5-3+
InChIKeyBTUSTNKNHKPQCB-HWKANZROSA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-(difluoromethyl)penta-1,3-dien-3-ol?
The IUPAC name of (3E)-2-(difluoromethyl)penta-1,3-dien-3-ol (CID 156725044) is (3E)-2-(difluoromethyl)penta-1,3-dien-3-ol.
What is the SMILES notation for (3E)-2-(difluoromethyl)penta-1,3-dien-3-ol?
The canonical SMILES for (3E)-2-(difluoromethyl)penta-1,3-dien-3-ol is C=C(/C(O)=C\C)C(F)F.
What is the InChIKey of (3E)-2-(difluoromethyl)penta-1,3-dien-3-ol?
The InChIKey is BTUSTNKNHKPQCB-HWKANZROSA-N. The full InChI is InChI=1S/C6H8F2O/c1-3-5(9)4(2)6(7)8/h3,6,9H,2H2,1H3/b5-3+.
What are the key properties of (3E)-2-(difluoromethyl)penta-1,3-dien-3-ol?
(3E)-2-(difluoromethyl)penta-1,3-dien-3-ol has a molecular weight of 134.12 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-(difluoromethyl)penta-1,3-dien-3-ol is sourced from PubChem (CID 156725044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).