(3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol

C19H20F2O — CID 144676255

IUPAC(3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol
SMILESC=C/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)CO
InChIInChI=1S/C19H20F2O/c1-7-8-9-14(3)16(5)18(20)19(21)17(6)15(4)11-10-13(2)12-22/h7-11,22H,1-6,12H2/b9-8-,11-10-,19-18-
InChIKeyQJNWTLJJUHOVPX-BSZNERHTSA-N
MW302.36 g/mol
LogP5.21
Rot. Bonds9

About (3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol

(3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol (PubChem CID 144676255) has the molecular formula C19H20F2O and a molecular weight of 302.36 g/mol. Its IUPAC name is (3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol.

Molecular Properties

Compound Name(3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol
PubChem CID144676255
Molecular FormulaC19H20F2O
Molecular Weight302.36 g/mol
Exact Mass302.15
IUPAC Name(3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol
SMILESC=C/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)CO
InChIInChI=1S/C19H20F2O/c1-7-8-9-14(3)16(5)18(20)19(21)17(6)15(4)11-10-13(2)12-22/h7-11,22H,1-6,12H2/b9-8-,11-10-,19-18-
InChIKeyQJNWTLJJUHOVPX-BSZNERHTSA-N
XLogP5.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.36
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol with MolForge

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Related Compounds

(4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane
CID 144604196
(3Z,7Z)-2-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143982603
(3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine
CID 142405932
(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;methane
CID 156726265
(3Z,7E)-7-fluoro-2,5,6-trimethylidenedeca-3,7,9-trien-1-amine
CID 163300539
(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene
CID 143096583
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
(5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride
CID 143773200
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
(2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine
CID 143109442
(6Z)-5-methylidenenona-6,8-dien-1-ol
CID 142368056
benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane
CID 164901853

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol?
The IUPAC name of (3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol (CID 144676255) is (3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol.
What is the SMILES notation for (3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol?
The canonical SMILES for (3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol is C=C/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)CO.
What is the InChIKey of (3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol?
The InChIKey is QJNWTLJJUHOVPX-BSZNERHTSA-N. The full InChI is InChI=1S/C19H20F2O/c1-7-8-9-14(3)16(5)18(20)19(21)17(6)15(4)11-10-13(2)12-22/h7-11,22H,1-6,12H2/b9-8-,11-10-,19-18-.
What are the key properties of (3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol?
(3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol has a molecular weight of 302.36 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol is sourced from PubChem (CID 144676255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).