(3E,7Z,11E,15Z)-17-[difluoro-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]oxymethyl]-4,12-difluoro-2-methyl-5,6,9,10,13,14-hexamethylideneoctadeca-1,3,7,11,15,17-hexaene

C32H31F5O — CID 145464255

IUPAC(3E,7Z,11E,15Z)-17-[difluoro-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]oxymethyl]-4,12-difluoro-2-methyl-5,6,9,10,13,14-hexamethylideneoctadeca-1,3,7,11,15,17-hexaene
SMILESC=C(F)/C=C\C(=C)OC(F)(F)C(=C)/C=C\C(=C)C(=C)/C(F)=C/C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C\C(=C)C
InChIInChI=1S/C32H31F5O/c1-20(2)18-30(34)28(10)22(4)13-12-21(3)24(6)19-31(35)29(11)23(5)14-15-25(7)32(36,37)38-27(9)17-16-26(8)33/h12-19H,1,3-11H2,2H3/b13-12-,15-14-,17-16-,30-18+,31-19+
InChIKeyDOGFEGZYBKBSEE-POBGTHHMSA-N
MW526.59 g/mol
LogP10.44
Rot. Bonds16

About (3E,7Z,11E,15Z)-17-[difluoro-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]oxymethyl]-4,12-difluoro-2-methyl-5,6,9,10,13,14-hexamethylideneoctadeca-1,3,7,11,15,17-hexaene

(3E,7Z,11E,15Z)-17-[difluoro-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]oxymethyl]-4,12-difluoro-2-methyl-5,6,9,10,13,14-hexamethylideneoctadeca-1,3,7,11,15,17-hexaene (PubChem CID 145464255) has the molecular formula C32H31F5O and a molecular weight of 526.59 g/mol. Its IUPAC name is (3E,7Z,11E,15Z)-17-[difluoro-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]oxymethyl]-4,12-difluoro-2-methyl-5,6,9,10,13,14-hexamethylideneoctadeca-1,3,7,11,15,17-hexaene.

Molecular Properties

Compound Name(3E,7Z,11E,15Z)-17-[difluoro-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]oxymethyl]-4,12-difluoro-2-methyl-5,6,9,10,13,14-hexamethylideneoctadeca-1,3,7,11,15,17-hexaene
PubChem CID145464255
Molecular FormulaC32H31F5O
Molecular Weight526.59 g/mol
Exact Mass526.23
IUPAC Name(3E,7Z,11E,15Z)-17-[difluoro-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]oxymethyl]-4,12-difluoro-2-methyl-5,6,9,10,13,14-hexamethylideneoctadeca-1,3,7,11,15,17-hexaene
SMILESC=C(F)/C=C\C(=C)OC(F)(F)C(=C)/C=C\C(=C)C(=C)/C(F)=C/C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C\C(=C)C
InChIInChI=1S/C32H31F5O/c1-20(2)18-30(34)28(10)22(4)13-12-21(3)24(6)19-31(35)29(11)23(5)14-15-25(7)32(36,37)38-27(9)17-16-26(8)33/h12-19H,1,3-11H2,2H3/b13-12-,15-14-,17-16-,30-18+,31-19+
InChIKeyDOGFEGZYBKBSEE-POBGTHHMSA-N
XLogP10.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.59
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,7Z,11E,15Z)-17-[difluoro-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]oxymethyl]-4,12-difluoro-2-methyl-5,6,9,10,13,14-hexamethylideneoctadeca-1,3,7,11,15,17-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E,7Z,11E,15Z)-17-[difluoro-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]oxymethyl]-4,12-difluoro-2-methyl-5,6,9,10,13,14-hexamethylideneoctadeca-1,3,7,11,15,17-hexaene?
The IUPAC name of (3E,7Z,11E,15Z)-17-[difluoro-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]oxymethyl]-4,12-difluoro-2-methyl-5,6,9,10,13,14-hexamethylideneoctadeca-1,3,7,11,15,17-hexaene (CID 145464255) is (3E,7Z,11E,15Z)-17-[difluoro-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]oxymethyl]-4,12-difluoro-2-methyl-5,6,9,10,13,14-hexamethylideneoctadeca-1,3,7,11,15,17-hexaene.
What is the SMILES notation for (3E,7Z,11E,15Z)-17-[difluoro-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]oxymethyl]-4,12-difluoro-2-methyl-5,6,9,10,13,14-hexamethylideneoctadeca-1,3,7,11,15,17-hexaene?
The canonical SMILES for (3E,7Z,11E,15Z)-17-[difluoro-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]oxymethyl]-4,12-difluoro-2-methyl-5,6,9,10,13,14-hexamethylideneoctadeca-1,3,7,11,15,17-hexaene is C=C(F)/C=C\C(=C)OC(F)(F)C(=C)/C=C\C(=C)C(=C)/C(F)=C/C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C\C(=C)C.
What is the InChIKey of (3E,7Z,11E,15Z)-17-[difluoro-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]oxymethyl]-4,12-difluoro-2-methyl-5,6,9,10,13,14-hexamethylideneoctadeca-1,3,7,11,15,17-hexaene?
The InChIKey is DOGFEGZYBKBSEE-POBGTHHMSA-N. The full InChI is InChI=1S/C32H31F5O/c1-20(2)18-30(34)28(10)22(4)13-12-21(3)24(6)19-31(35)29(11)23(5)14-15-25(7)32(36,37)38-27(9)17-16-26(8)33/h12-19H,1,3-11H2,2H3/b13-12-,15-14-,17-16-,30-18+,31-19+.
What are the key properties of (3E,7Z,11E,15Z)-17-[difluoro-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]oxymethyl]-4,12-difluoro-2-methyl-5,6,9,10,13,14-hexamethylideneoctadeca-1,3,7,11,15,17-hexaene?
(3E,7Z,11E,15Z)-17-[difluoro-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]oxymethyl]-4,12-difluoro-2-methyl-5,6,9,10,13,14-hexamethylideneoctadeca-1,3,7,11,15,17-hexaene has a molecular weight of 526.59 g/mol, XLogP of 10.44, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7Z,11E,15Z)-17-[difluoro-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]oxymethyl]-4,12-difluoro-2-methyl-5,6,9,10,13,14-hexamethylideneoctadeca-1,3,7,11,15,17-hexaene is sourced from PubChem (CID 145464255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).