2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate

C14H26F2O — CID 160840388

IUPAC2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate
SMILESCC1CCC(C2CCC(C)C(F)C2F)CC1.O
InChIInChI=1S/C14H24F2.H2O/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(15)14(12)16;/h9-14H,3-8H2,1-2H3;1H2
InChIKeyCJRONASIQIPWSH-UHFFFAOYSA-N
MW248.36 g/mol
LogP3.71
Rot. Bonds1

About 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate

2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate (PubChem CID 160840388) has the molecular formula C14H26F2O and a molecular weight of 248.36 g/mol. Its IUPAC name is 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate.

Molecular Properties

Compound Name2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate
PubChem CID160840388
Molecular FormulaC14H26F2O
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate
SMILESCC1CCC(C2CCC(C)C(F)C2F)CC1.O
InChIInChI=1S/C14H24F2.H2O/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(15)14(12)16;/h9-14H,3-8H2,1-2H3;1H2
InChIKeyCJRONASIQIPWSH-UHFFFAOYSA-N
XLogP3.71
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate 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

bis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate
CID 162010835
2-(2,3-difluoro-4-methylcyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;trihydrate
CID 158616195
1-[4-(2,3-difluoro-4-iodocyclohexyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane
CID 118103255
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;octahydrate
CID 160792991
1,2,8-trifluoro-7-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 59348904
1-[4-(2-cyclohexylethenyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane
CID 143932548
2,3-difluoro-1-methyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]cyclohexane
CID 59866396
1-[4-(3,3-difluorobutyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane
CID 118971137
4,6-difluoro-7-methyl-3-(4-methylcyclohexyl)-2,3,4,4a,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclohepta[b][1]benzofuran
CID 145331509
1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane
CID 143405112
(2S)-1-[4-[2-(2,3-difluoro-4-methylcyclohexyl)ethyl]cyclohexyl]-2,3-difluoro-4-(4-pentylcyclohexyl)cyclohexane
CID 90437368
2,3-difluoro-1-(methoxymethyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;molecular hydrogen;hydrate
CID 160630512

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate?
The IUPAC name of 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate (CID 160840388) is 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate.
What is the SMILES notation for 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate?
The canonical SMILES for 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate is CC1CCC(C2CCC(C)C(F)C2F)CC1.O.
What is the InChIKey of 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate?
The InChIKey is CJRONASIQIPWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2.H2O/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(15)14(12)16;/h9-14H,3-8H2,1-2H3;1H2.
What are the key properties of 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate?
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate has a molecular weight of 248.36 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate is sourced from PubChem (CID 160840388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).