3,3-difluoro-4,8-dimethylnona-1,7-dien-4-ol

C11H18F2O — CID 15697150

IUPAC3,3-difluoro-4,8-dimethylnona-1,7-dien-4-ol
SMILESC=CC(F)(F)C(C)(O)CCC=C(C)C
InChIInChI=1S/C11H18F2O/c1-5-11(12,13)10(4,14)8-6-7-9(2)3/h5,7,14H,1,6,8H2,2-4H3
InChIKeyDHFDNOXQMBKQKZ-UHFFFAOYSA-N
MW204.26 g/mol
LogP3.31
Rot. Bonds5

About 3,3-difluoro-4,8-dimethylnona-1,7-dien-4-ol

3,3-difluoro-4,8-dimethylnona-1,7-dien-4-ol (PubChem CID 15697150) has the molecular formula C11H18F2O and a molecular weight of 204.26 g/mol. Its IUPAC name is 3,3-difluoro-4,8-dimethylnona-1,7-dien-4-ol.

Molecular Properties

Compound Name3,3-difluoro-4,8-dimethylnona-1,7-dien-4-ol
PubChem CID15697150
Molecular FormulaC11H18F2O
Molecular Weight204.26 g/mol
Exact Mass204.13
IUPAC Name3,3-difluoro-4,8-dimethylnona-1,7-dien-4-ol
SMILESC=CC(F)(F)C(C)(O)CCC=C(C)C
InChIInChI=1S/C11H18F2O/c1-5-11(12,13)10(4,14)8-6-7-9(2)3/h5,7,14H,1,6,8H2,2-4H3
InChIKeyDHFDNOXQMBKQKZ-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 53.31
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 3,3-difluoro-4,8-dimethylnona-1,7-dien-4-ol?
The IUPAC name of 3,3-difluoro-4,8-dimethylnona-1,7-dien-4-ol (CID 15697150) is 3,3-difluoro-4,8-dimethylnona-1,7-dien-4-ol.
What is the SMILES notation for 3,3-difluoro-4,8-dimethylnona-1,7-dien-4-ol?
The canonical SMILES for 3,3-difluoro-4,8-dimethylnona-1,7-dien-4-ol is C=CC(F)(F)C(C)(O)CCC=C(C)C.
What is the InChIKey of 3,3-difluoro-4,8-dimethylnona-1,7-dien-4-ol?
The InChIKey is DHFDNOXQMBKQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O/c1-5-11(12,13)10(4,14)8-6-7-9(2)3/h5,7,14H,1,6,8H2,2-4H3.
What are the key properties of 3,3-difluoro-4,8-dimethylnona-1,7-dien-4-ol?
3,3-difluoro-4,8-dimethylnona-1,7-dien-4-ol has a molecular weight of 204.26 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4,8-dimethylnona-1,7-dien-4-ol is sourced from PubChem (CID 15697150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).