1,2-bis(fluoromethoxy)-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C23H34F2O2 — CID 139930962

IUPAC1,2-bis(fluoromethoxy)-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3cccc(OCF)c3OCF)CC2)CC1
InChIInChI=1S/C23H34F2O2/c1-2-4-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-5-3-6-22(26-15-24)23(21)27-16-25/h3,5-6,17-20H,2,4,7-16H2,1H3
InChIKeyIWNZUJBTZVYMMB-UHFFFAOYSA-N
MW380.52 g/mol
LogP7.18
Rot. Bonds8

About 1,2-bis(fluoromethoxy)-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene

1,2-bis(fluoromethoxy)-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 139930962) has the molecular formula C23H34F2O2 and a molecular weight of 380.52 g/mol. Its IUPAC name is 1,2-bis(fluoromethoxy)-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1,2-bis(fluoromethoxy)-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID139930962
Molecular FormulaC23H34F2O2
Molecular Weight380.52 g/mol
Exact Mass380.25
IUPAC Name1,2-bis(fluoromethoxy)-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3cccc(OCF)c3OCF)CC2)CC1
InChIInChI=1S/C23H34F2O2/c1-2-4-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-5-3-6-22(26-15-24)23(21)27-16-25/h3,5-6,17-20H,2,4,7-16H2,1H3
InChIKeyIWNZUJBTZVYMMB-UHFFFAOYSA-N
XLogP7.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.52
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 139880265
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
[2-fluoro-3-(4-propylcyclohexyl)phenoxy]boronic acid
CID 151058470
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467
2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene
CID 118595774
2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene
CID 70841823
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]benzene
CID 154607351
2,3-difluoro-1-(1,1,2,2,2-pentadeuterioethoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 142671423
2,3-difluoro-1-pent-4-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 69030502
2,3-difluoro-1-[(Z)-prop-1-enoxy]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358464
2-bromo-6-(4-propylcyclohexyl)phenol
CID 162716944
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(fluoromethoxy)-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1,2-bis(fluoromethoxy)-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 139930962) is 1,2-bis(fluoromethoxy)-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1,2-bis(fluoromethoxy)-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1,2-bis(fluoromethoxy)-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCC1CCC(C2CCC(c3cccc(OCF)c3OCF)CC2)CC1.
What is the InChIKey of 1,2-bis(fluoromethoxy)-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is IWNZUJBTZVYMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F2O2/c1-2-4-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-5-3-6-22(26-15-24)23(21)27-16-25/h3,5-6,17-20H,2,4,7-16H2,1H3.
What are the key properties of 1,2-bis(fluoromethoxy)-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
1,2-bis(fluoromethoxy)-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 380.52 g/mol, XLogP of 7.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(fluoromethoxy)-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 139930962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).