(6Z)-3-[(4-cyclohexylcyclohexyl)methoxy]-1,2-difluoro-6-(1-fluoroprop-2-enylidene)-5-methylidenecyclohexa-1,3-diene

C23H29F3O — CID 143889445

IUPAC(6Z)-3-[(4-cyclohexylcyclohexyl)methoxy]-1,2-difluoro-6-(1-fluoroprop-2-enylidene)-5-methylidenecyclohexa-1,3-diene
SMILESC=C/C(F)=c1/c(F)c(F)c(OCC2CCC(C3CCCCC3)CC2)cc1=C
InChIInChI=1S/C23H29F3O/c1-3-19(24)21-15(2)13-20(22(25)23(21)26)27-14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h3,13,16-18H,1-2,4-12,14H2/b21-19-
InChIKeyGOZYNQBEIJLBQU-VZCXRCSSSA-N
MW378.48 g/mol
LogP5.40
Rot. Bonds5

About (6Z)-3-[(4-cyclohexylcyclohexyl)methoxy]-1,2-difluoro-6-(1-fluoroprop-2-enylidene)-5-methylidenecyclohexa-1,3-diene

(6Z)-3-[(4-cyclohexylcyclohexyl)methoxy]-1,2-difluoro-6-(1-fluoroprop-2-enylidene)-5-methylidenecyclohexa-1,3-diene (PubChem CID 143889445) has the molecular formula C23H29F3O and a molecular weight of 378.48 g/mol. Its IUPAC name is (6Z)-3-[(4-cyclohexylcyclohexyl)methoxy]-1,2-difluoro-6-(1-fluoroprop-2-enylidene)-5-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name(6Z)-3-[(4-cyclohexylcyclohexyl)methoxy]-1,2-difluoro-6-(1-fluoroprop-2-enylidene)-5-methylidenecyclohexa-1,3-diene
PubChem CID143889445
Molecular FormulaC23H29F3O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name(6Z)-3-[(4-cyclohexylcyclohexyl)methoxy]-1,2-difluoro-6-(1-fluoroprop-2-enylidene)-5-methylidenecyclohexa-1,3-diene
SMILESC=C/C(F)=c1/c(F)c(F)c(OCC2CCC(C3CCCCC3)CC2)cc1=C
InChIInChI=1S/C23H29F3O/c1-3-19(24)21-15(2)13-20(22(25)23(21)26)27-14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h3,13,16-18H,1-2,4-12,14H2/b21-19-
InChIKeyGOZYNQBEIJLBQU-VZCXRCSSSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6Z)-3-[(4-cyclohexylcyclohexyl)methoxy]-1,2-difluoro-6-(1-fluoroprop-2-enylidene)-5-methylidenecyclohexa-1,3-diene?
The IUPAC name of (6Z)-3-[(4-cyclohexylcyclohexyl)methoxy]-1,2-difluoro-6-(1-fluoroprop-2-enylidene)-5-methylidenecyclohexa-1,3-diene (CID 143889445) is (6Z)-3-[(4-cyclohexylcyclohexyl)methoxy]-1,2-difluoro-6-(1-fluoroprop-2-enylidene)-5-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for (6Z)-3-[(4-cyclohexylcyclohexyl)methoxy]-1,2-difluoro-6-(1-fluoroprop-2-enylidene)-5-methylidenecyclohexa-1,3-diene?
The canonical SMILES for (6Z)-3-[(4-cyclohexylcyclohexyl)methoxy]-1,2-difluoro-6-(1-fluoroprop-2-enylidene)-5-methylidenecyclohexa-1,3-diene is C=C/C(F)=c1/c(F)c(F)c(OCC2CCC(C3CCCCC3)CC2)cc1=C.
What is the InChIKey of (6Z)-3-[(4-cyclohexylcyclohexyl)methoxy]-1,2-difluoro-6-(1-fluoroprop-2-enylidene)-5-methylidenecyclohexa-1,3-diene?
The InChIKey is GOZYNQBEIJLBQU-VZCXRCSSSA-N. The full InChI is InChI=1S/C23H29F3O/c1-3-19(24)21-15(2)13-20(22(25)23(21)26)27-14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h3,13,16-18H,1-2,4-12,14H2/b21-19-.
What are the key properties of (6Z)-3-[(4-cyclohexylcyclohexyl)methoxy]-1,2-difluoro-6-(1-fluoroprop-2-enylidene)-5-methylidenecyclohexa-1,3-diene?
(6Z)-3-[(4-cyclohexylcyclohexyl)methoxy]-1,2-difluoro-6-(1-fluoroprop-2-enylidene)-5-methylidenecyclohexa-1,3-diene has a molecular weight of 378.48 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3-[(4-cyclohexylcyclohexyl)methoxy]-1,2-difluoro-6-(1-fluoroprop-2-enylidene)-5-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 143889445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).