(3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol

C14H22F2O — CID 144733838

IUPAC(3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol
SMILESC=C(O)/C(F)=C(/F)C(=C)C(C)CCC(C)CC
InChIInChI=1S/C14H22F2O/c1-6-9(2)7-8-10(3)11(4)13(15)14(16)12(5)17/h9-10,17H,4-8H2,1-3H3/b14-13-
InChIKeyCYJPWFLPKZKMJT-YPKPFQOOSA-N
MW244.32 g/mol
LogP5.23
Rot. Bonds7

About (3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol

(3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol (PubChem CID 144733838) has the molecular formula C14H22F2O and a molecular weight of 244.32 g/mol. Its IUPAC name is (3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol.

Molecular Properties

Compound Name(3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol
PubChem CID144733838
Molecular FormulaC14H22F2O
Molecular Weight244.32 g/mol
Exact Mass244.16
IUPAC Name(3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol
SMILESC=C(O)/C(F)=C(/F)C(=C)C(C)CCC(C)CC
InChIInChI=1S/C14H22F2O/c1-6-9(2)7-8-10(3)11(4)13(15)14(16)12(5)17/h9-10,17H,4-8H2,1-3H3/b14-13-
InChIKeyCYJPWFLPKZKMJT-YPKPFQOOSA-N
XLogP5.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.32
LogP ≤ 55.23
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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Related Compounds

(3E,5E)-10,10,10-trifluoro-8-methyl-6-(3-methylbutyl)deca-1,3,5-trien-3-ol
CID 132002216
(3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol
CID 138534857
(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-en-1-ol
CID 142318716
(3Z)-3,4-difluoro-5-(4-propylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol
CID 142363335
(3Z)-3,4-difluoro-6,9-dimethyl-5-methylidenedeca-1,3-dien-2-ol
CID 143777055
(3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-dien-2-ol
CID 143777056
(3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol
CID 143908759
(3E,7Z)-3-fluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol
CID 144055817
(3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol
CID 145079834
(3Z)-3,4-difluoro-6,9,10-trimethyl-5-methylidenetetradeca-1,3-dien-2-ol
CID 145173376
(3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-dien-2-ol
CID 145173377
(3Z)-5-cyclohexyl-3,4-difluorohexa-1,3,5-trien-2-ol
CID 156558712

Frequently Asked Questions

What is the IUPAC name of (3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol?
The IUPAC name of (3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol (CID 144733838) is (3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol.
What is the SMILES notation for (3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol?
The canonical SMILES for (3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol is C=C(O)/C(F)=C(/F)C(=C)C(C)CCC(C)CC.
What is the InChIKey of (3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol?
The InChIKey is CYJPWFLPKZKMJT-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H22F2O/c1-6-9(2)7-8-10(3)11(4)13(15)14(16)12(5)17/h9-10,17H,4-8H2,1-3H3/b14-13-.
What are the key properties of (3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol?
(3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol has a molecular weight of 244.32 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol is sourced from PubChem (CID 144733838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).