1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene

C16H20F4O — CID 118966982

IUPAC1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
SMILESCOc1ccc(C2CCC(CC(C)(F)F)CC2)c(F)c1F
InChIInChI=1S/C16H20F4O/c1-16(19,20)9-10-3-5-11(6-4-10)12-7-8-13(21-2)15(18)14(12)17/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyOHDYFJXTRDJASP-UHFFFAOYSA-N
MW304.33 g/mol
LogP5.29
Rot. Bonds4

About 1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene

1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene (PubChem CID 118966982) has the molecular formula C16H20F4O and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
PubChem CID118966982
Molecular FormulaC16H20F4O
Molecular Weight304.33 g/mol
Exact Mass304.15
IUPAC Name1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
SMILESCOc1ccc(C2CCC(CC(C)(F)F)CC2)c(F)c1F
InChIInChI=1S/C16H20F4O/c1-16(19,20)9-10-3-5-11(6-4-10)12-7-8-13(21-2)15(18)14(12)17/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyOHDYFJXTRDJASP-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.33
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene 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

1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 118967004
1-[4-[4-(2,2-difluoropropyl)cyclohexyl]phenoxy]-2,3-difluoro-4-methoxybenzene
CID 118967041
2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene
CID 53418387
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
CID 142351768
2,3-difluoro-1-methoxy-4-[4-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 118967051
2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene
CID 90128781
2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene
CID 20783054
2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene
CID 69087569
2-(4-butylcyclohexyl)-6-(2,3-difluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837372
2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane
CID 158097848
2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene
CID 141349611
2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868521

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene?
The IUPAC name of 1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene (CID 118966982) is 1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene.
What is the SMILES notation for 1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene?
The canonical SMILES for 1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene is COc1ccc(C2CCC(CC(C)(F)F)CC2)c(F)c1F.
What is the InChIKey of 1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene?
The InChIKey is OHDYFJXTRDJASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4O/c1-16(19,20)9-10-3-5-11(6-4-10)12-7-8-13(21-2)15(18)14(12)17/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene?
1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene has a molecular weight of 304.33 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene is sourced from PubChem (CID 118966982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).