1,2-difluoro-4-(4-methoxycyclohexyl)benzene

C13H16F2O — CID 144809444

IUPAC1,2-difluoro-4-(4-methoxycyclohexyl)benzene
SMILESCOC1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C13H16F2O/c1-16-11-5-2-9(3-6-11)10-4-7-12(14)13(15)8-10/h4,7-9,11H,2-3,5-6H2,1H3
InChIKeyAVNRJHLQQONPOC-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.64
Rot. Bonds2

About 1,2-difluoro-4-(4-methoxycyclohexyl)benzene

1,2-difluoro-4-(4-methoxycyclohexyl)benzene (PubChem CID 144809444) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is 1,2-difluoro-4-(4-methoxycyclohexyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(4-methoxycyclohexyl)benzene
PubChem CID144809444
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name1,2-difluoro-4-(4-methoxycyclohexyl)benzene
SMILESCOC1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C13H16F2O/c1-16-11-5-2-9(3-6-11)10-4-7-12(14)13(15)8-10/h4,7-9,11H,2-3,5-6H2,1H3
InChIKeyAVNRJHLQQONPOC-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-(4-methoxycyclohexyl)-1-[(E)-prop-1-enoxy]benzene
CID 144809408
4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene
CID 144902495
4-cyclopropyl-1,2-difluorobenzene;ethyl formate
CID 145194546
1,3-difluoro-5-(4-methoxycyclohexyl)benzene
CID 174716619
4-cyclopropyl-1,2-difluorobenzene;formic acid
CID 144529056
2-fluoro-1-methoxy-4-[4-(4-methoxycyclohexyl)phenyl]benzene
CID 144809360
4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
CID 154010858
2-fluoro-4-(4-methoxycyclohexyl)-1-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 139457155
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene
CID 89280493
1-(difluoromethoxy)-2-fluoro-4-[4-(4-methoxycyclohexyl)phenyl]benzene
CID 144809434
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(4-methoxycyclohexyl)benzene?
The IUPAC name of 1,2-difluoro-4-(4-methoxycyclohexyl)benzene (CID 144809444) is 1,2-difluoro-4-(4-methoxycyclohexyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-(4-methoxycyclohexyl)benzene?
The canonical SMILES for 1,2-difluoro-4-(4-methoxycyclohexyl)benzene is COC1CCC(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1,2-difluoro-4-(4-methoxycyclohexyl)benzene?
The InChIKey is AVNRJHLQQONPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c1-16-11-5-2-9(3-6-11)10-4-7-12(14)13(15)8-10/h4,7-9,11H,2-3,5-6H2,1H3.
What are the key properties of 1,2-difluoro-4-(4-methoxycyclohexyl)benzene?
1,2-difluoro-4-(4-methoxycyclohexyl)benzene has a molecular weight of 226.27 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(4-methoxycyclohexyl)benzene is sourced from PubChem (CID 144809444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).