(4E)-4,5-difluoronona-1,4-dien-3-ol

C9H14F2O — CID 101004865

IUPAC(4E)-4,5-difluoronona-1,4-dien-3-ol
SMILESC=CC(O)/C(F)=C(\F)CCCC
InChIInChI=1S/C9H14F2O/c1-3-5-6-7(10)9(11)8(12)4-2/h4,8,12H,2-3,5-6H2,1H3/b9-7+
InChIKeyMIBLJPNIURYMNH-VQHVLOKHSA-N
MW176.21 g/mol
LogP2.87
Rot. Bonds5

About (4E)-4,5-difluoronona-1,4-dien-3-ol

(4E)-4,5-difluoronona-1,4-dien-3-ol (PubChem CID 101004865) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is (4E)-4,5-difluoronona-1,4-dien-3-ol.

Molecular Properties

Compound Name(4E)-4,5-difluoronona-1,4-dien-3-ol
PubChem CID101004865
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(4E)-4,5-difluoronona-1,4-dien-3-ol
SMILESC=CC(O)/C(F)=C(\F)CCCC
InChIInChI=1S/C9H14F2O/c1-3-5-6-7(10)9(11)8(12)4-2/h4,8,12H,2-3,5-6H2,1H3/b9-7+
InChIKeyMIBLJPNIURYMNH-VQHVLOKHSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Octen-2-ol
CID 42538
3-Octen-2-ol, (3E)-
CID 5358336
Hex-4-en-3-ol
CID 5366234
2-Hepten-4-ol
CID 5366235
Hept-3-en-2-ol
CID 5366262
(E)-3-nonen-2-ol
CID 5367540
(A+/-)-trans-hex-4-en-3-ol
CID 11297938
(E)-dec-3-en-2-ol
CID 5365770
(3R,4E)-4-Hexen-3-ol
CID 10855390
(Z)-hex-4-en-3-ol
CID 12465989
3-Hepten-2-ol
CID 551451
1,6-Octadien-3-ol
CID 11040710

Frequently Asked Questions

What is the IUPAC name of (4E)-4,5-difluoronona-1,4-dien-3-ol?
The IUPAC name of (4E)-4,5-difluoronona-1,4-dien-3-ol (CID 101004865) is (4E)-4,5-difluoronona-1,4-dien-3-ol.
What is the SMILES notation for (4E)-4,5-difluoronona-1,4-dien-3-ol?
The canonical SMILES for (4E)-4,5-difluoronona-1,4-dien-3-ol is C=CC(O)/C(F)=C(\F)CCCC.
What is the InChIKey of (4E)-4,5-difluoronona-1,4-dien-3-ol?
The InChIKey is MIBLJPNIURYMNH-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H14F2O/c1-3-5-6-7(10)9(11)8(12)4-2/h4,8,12H,2-3,5-6H2,1H3/b9-7+.
What are the key properties of (4E)-4,5-difluoronona-1,4-dien-3-ol?
(4E)-4,5-difluoronona-1,4-dien-3-ol has a molecular weight of 176.21 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4,5-difluoronona-1,4-dien-3-ol is sourced from PubChem (CID 101004865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).