2,3-difluoro-1-[[1-fluoro-4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-methylbenzene

C23H33F3O — CID 138717450

IUPAC2,3-difluoro-1-[[1-fluoro-4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-methylbenzene
SMILESCCCC1CCC(C2CCC(F)(COc3ccc(C)c(F)c3F)CC2)CC1
InChIInChI=1S/C23H33F3O/c1-3-4-17-6-8-18(9-7-17)19-11-13-23(26,14-12-19)15-27-20-10-5-16(2)21(24)22(20)25/h5,10,17-19H,3-4,6-9,11-15H2,1-2H3
InChIKeyRHCXSMDCLRZGKF-UHFFFAOYSA-N
MW382.51 g/mol
LogP7.16
Rot. Bonds6

About 2,3-difluoro-1-[[1-fluoro-4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-methylbenzene

2,3-difluoro-1-[[1-fluoro-4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-methylbenzene (PubChem CID 138717450) has the molecular formula C23H33F3O and a molecular weight of 382.51 g/mol. Its IUPAC name is 2,3-difluoro-1-[[1-fluoro-4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-methylbenzene.

Molecular Properties

Compound Name2,3-difluoro-1-[[1-fluoro-4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-methylbenzene
PubChem CID138717450
Molecular FormulaC23H33F3O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name2,3-difluoro-1-[[1-fluoro-4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-methylbenzene
SMILESCCCC1CCC(C2CCC(F)(COc3ccc(C)c(F)c3F)CC2)CC1
InChIInChI=1S/C23H33F3O/c1-3-4-17-6-8-18(9-7-17)19-11-13-23(26,14-12-19)15-27-20-10-5-16(2)21(24)22(20)25/h5,10,17-19H,3-4,6-9,11-15H2,1-2H3
InChIKeyRHCXSMDCLRZGKF-UHFFFAOYSA-N
XLogP7.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[[1-fluoro-4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-methylbenzene?
The IUPAC name of 2,3-difluoro-1-[[1-fluoro-4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-methylbenzene (CID 138717450) is 2,3-difluoro-1-[[1-fluoro-4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-methylbenzene.
What is the SMILES notation for 2,3-difluoro-1-[[1-fluoro-4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-methylbenzene?
The canonical SMILES for 2,3-difluoro-1-[[1-fluoro-4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-methylbenzene is CCCC1CCC(C2CCC(F)(COc3ccc(C)c(F)c3F)CC2)CC1.
What is the InChIKey of 2,3-difluoro-1-[[1-fluoro-4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-methylbenzene?
The InChIKey is RHCXSMDCLRZGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F3O/c1-3-4-17-6-8-18(9-7-17)19-11-13-23(26,14-12-19)15-27-20-10-5-16(2)21(24)22(20)25/h5,10,17-19H,3-4,6-9,11-15H2,1-2H3.
What are the key properties of 2,3-difluoro-1-[[1-fluoro-4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-methylbenzene?
2,3-difluoro-1-[[1-fluoro-4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-methylbenzene has a molecular weight of 382.51 g/mol, XLogP of 7.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[[1-fluoro-4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-methylbenzene is sourced from PubChem (CID 138717450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).