5-[(4-butylcyclohexyl)-difluoromethoxy]-1,3-difluoro-2-methylbenzene

C18H24F4O — CID 134472887

IUPAC5-[(4-butylcyclohexyl)-difluoromethoxy]-1,3-difluoro-2-methylbenzene
SMILESCCCCC1CCC(C(F)(F)Oc2cc(F)c(C)c(F)c2)CC1
InChIInChI=1S/C18H24F4O/c1-3-4-5-13-6-8-14(9-7-13)18(21,22)23-15-10-16(19)12(2)17(20)11-15/h10-11,13-14H,3-9H2,1-2H3
InChIKeyORWATQQXIYOMOZ-UHFFFAOYSA-N
MW332.38 g/mol
LogP6.24
Rot. Bonds6

About 5-[(4-butylcyclohexyl)-difluoromethoxy]-1,3-difluoro-2-methylbenzene

5-[(4-butylcyclohexyl)-difluoromethoxy]-1,3-difluoro-2-methylbenzene (PubChem CID 134472887) has the molecular formula C18H24F4O and a molecular weight of 332.38 g/mol. Its IUPAC name is 5-[(4-butylcyclohexyl)-difluoromethoxy]-1,3-difluoro-2-methylbenzene.

Molecular Properties

Compound Name5-[(4-butylcyclohexyl)-difluoromethoxy]-1,3-difluoro-2-methylbenzene
PubChem CID134472887
Molecular FormulaC18H24F4O
Molecular Weight332.38 g/mol
Exact Mass332.18
IUPAC Name5-[(4-butylcyclohexyl)-difluoromethoxy]-1,3-difluoro-2-methylbenzene
SMILESCCCCC1CCC(C(F)(F)Oc2cc(F)c(C)c(F)c2)CC1
InChIInChI=1S/C18H24F4O/c1-3-4-5-13-6-8-14(9-7-13)18(21,22)23-15-10-16(19)12(2)17(20)11-15/h10-11,13-14H,3-9H2,1-2H3
InChIKeyORWATQQXIYOMOZ-UHFFFAOYSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.38
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-[(4-butylcyclohexyl)-difluoromethoxy]-1,3-difluoro-2-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluoro-2-methylbenzene;ethane
CID 144714424
4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexane-1-carbaldehyde
CID 89144613
5-[[4-(4-butylcyclohexyl)cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-(4-cyclopropylcyclohexyl)cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[difluoro-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene;5-[difluoro-[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;5-[[4-(4-ethylcyclohexyl)cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 158351273
4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexan-1-one
CID 70965494
5-[[4-[4-[difluoro-[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]-2-fluorophenyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 89280243
2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]-5-pentyloxane;molecular hydrogen
CID 161263731
1-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 118601282
4,7-bis[4-[difluoro-(4-pentylcyclohexyl)methoxy]-2-fluorophenyl]-2,1,3-benzothiadiazole
CID 121289294
4-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-2,6-difluorobenzoic acid
CID 20721618
5-[[4-[4-(3-ethylcyclopentyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 134437843
5-[difluoro-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]methoxy]-1,3-difluoro-2-(fluoromethoxy)benzene
CID 134222349
1-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]ethyl]-2,3-difluoro-4-methylbenzene
CID 135223734

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butylcyclohexyl)-difluoromethoxy]-1,3-difluoro-2-methylbenzene?
The IUPAC name of 5-[(4-butylcyclohexyl)-difluoromethoxy]-1,3-difluoro-2-methylbenzene (CID 134472887) is 5-[(4-butylcyclohexyl)-difluoromethoxy]-1,3-difluoro-2-methylbenzene.
What is the SMILES notation for 5-[(4-butylcyclohexyl)-difluoromethoxy]-1,3-difluoro-2-methylbenzene?
The canonical SMILES for 5-[(4-butylcyclohexyl)-difluoromethoxy]-1,3-difluoro-2-methylbenzene is CCCCC1CCC(C(F)(F)Oc2cc(F)c(C)c(F)c2)CC1.
What is the InChIKey of 5-[(4-butylcyclohexyl)-difluoromethoxy]-1,3-difluoro-2-methylbenzene?
The InChIKey is ORWATQQXIYOMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F4O/c1-3-4-5-13-6-8-14(9-7-13)18(21,22)23-15-10-16(19)12(2)17(20)11-15/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of 5-[(4-butylcyclohexyl)-difluoromethoxy]-1,3-difluoro-2-methylbenzene?
5-[(4-butylcyclohexyl)-difluoromethoxy]-1,3-difluoro-2-methylbenzene has a molecular weight of 332.38 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butylcyclohexyl)-difluoromethoxy]-1,3-difluoro-2-methylbenzene is sourced from PubChem (CID 134472887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).