1-(difluoromethoxy)-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C22H31F3O — CID 14765982

IUPAC1-(difluoromethoxy)-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(OC(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H31F3O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-21(20(23)14-19)26-22(24)25/h12-18,22H,2-11H2,1H3
InChIKeyIFGWCSRLBWEWQP-UHFFFAOYSA-N
MW368.48 g/mol
LogP7.31
Rot. Bonds6

About 1-(difluoromethoxy)-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

1-(difluoromethoxy)-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 14765982) has the molecular formula C22H31F3O and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID14765982
Molecular FormulaC22H31F3O
Molecular Weight368.48 g/mol
Exact Mass368.23
IUPAC Name1-(difluoromethoxy)-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(OC(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H31F3O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-21(20(23)14-19)26-22(24)25/h12-18,22H,2-11H2,1H3
InChIKeyIFGWCSRLBWEWQP-UHFFFAOYSA-N
XLogP7.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1-(difluoromethoxy)-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 14765982) is 1-(difluoromethoxy)-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1-(difluoromethoxy)-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1-(difluoromethoxy)-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCC1CCC(C2CCC(c3ccc(OC(F)F)c(F)c3)CC2)CC1.
What is the InChIKey of 1-(difluoromethoxy)-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is IFGWCSRLBWEWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F3O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-21(20(23)14-19)26-22(24)25/h12-18,22H,2-11H2,1H3.
What are the key properties of 1-(difluoromethoxy)-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
1-(difluoromethoxy)-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 368.48 g/mol, XLogP of 7.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 14765982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).