(Z)-5,5-difluoro-2-methylnon-7-en-4-ol

C10H18F2O — CID 138747780

IUPAC(Z)-5,5-difluoro-2-methylnon-7-en-4-ol
SMILESC/C=C\CC(F)(F)C(O)CC(C)C
InChIInChI=1S/C10H18F2O/c1-4-5-6-10(11,12)9(13)7-8(2)3/h4-5,8-9,13H,6-7H2,1-3H3/b5-4-
InChIKeyJWKDKCMZJDIRPE-PLNGDYQASA-N
MW192.25 g/mol
LogP2.99
Rot. Bonds5

About (Z)-5,5-difluoro-2-methylnon-7-en-4-ol

(Z)-5,5-difluoro-2-methylnon-7-en-4-ol (PubChem CID 138747780) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is (Z)-5,5-difluoro-2-methylnon-7-en-4-ol.

Molecular Properties

Compound Name(Z)-5,5-difluoro-2-methylnon-7-en-4-ol
PubChem CID138747780
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name(Z)-5,5-difluoro-2-methylnon-7-en-4-ol
SMILESC/C=C\CC(F)(F)C(O)CC(C)C
InChIInChI=1S/C10H18F2O/c1-4-5-6-10(11,12)9(13)7-8(2)3/h4-5,8-9,13H,6-7H2,1-3H3/b5-4-
InChIKeyJWKDKCMZJDIRPE-PLNGDYQASA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 52.99
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 (Z)-5,5-difluoro-2-methylnon-7-en-4-ol?
The IUPAC name of (Z)-5,5-difluoro-2-methylnon-7-en-4-ol (CID 138747780) is (Z)-5,5-difluoro-2-methylnon-7-en-4-ol.
What is the SMILES notation for (Z)-5,5-difluoro-2-methylnon-7-en-4-ol?
The canonical SMILES for (Z)-5,5-difluoro-2-methylnon-7-en-4-ol is C/C=C\CC(F)(F)C(O)CC(C)C.
What is the InChIKey of (Z)-5,5-difluoro-2-methylnon-7-en-4-ol?
The InChIKey is JWKDKCMZJDIRPE-PLNGDYQASA-N. The full InChI is InChI=1S/C10H18F2O/c1-4-5-6-10(11,12)9(13)7-8(2)3/h4-5,8-9,13H,6-7H2,1-3H3/b5-4-.
What are the key properties of (Z)-5,5-difluoro-2-methylnon-7-en-4-ol?
(Z)-5,5-difluoro-2-methylnon-7-en-4-ol has a molecular weight of 192.25 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5-difluoro-2-methylnon-7-en-4-ol is sourced from PubChem (CID 138747780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).