2,3-difluoro-1-(4-methylcyclohexyl)-4-(5-methylhexan-2-yl)cyclohexane;ethane

C24H48F2 — CID 145325236

IUPAC2,3-difluoro-1-(4-methylcyclohexyl)-4-(5-methylhexan-2-yl)cyclohexane;ethane
SMILESCC.CC.CC(C)CCC(C)C1CCC(C2CCC(C)CC2)C(F)C1F
InChIInChI=1S/C20H36F2.2C2H6/c1-13(2)5-8-15(4)17-11-12-18(20(22)19(17)21)16-9-6-14(3)7-10-16;2*1-2/h13-20H,5-12H2,1-4H3;2*1-2H3
InChIKeySBRGJCKYSTZMEA-UHFFFAOYSA-N
MW374.64 g/mol
LogP8.64
Rot. Bonds5

About 2,3-difluoro-1-(4-methylcyclohexyl)-4-(5-methylhexan-2-yl)cyclohexane;ethane

2,3-difluoro-1-(4-methylcyclohexyl)-4-(5-methylhexan-2-yl)cyclohexane;ethane (PubChem CID 145325236) has the molecular formula C24H48F2 and a molecular weight of 374.64 g/mol. Its IUPAC name is 2,3-difluoro-1-(4-methylcyclohexyl)-4-(5-methylhexan-2-yl)cyclohexane;ethane.

Molecular Properties

Compound Name2,3-difluoro-1-(4-methylcyclohexyl)-4-(5-methylhexan-2-yl)cyclohexane;ethane
PubChem CID145325236
Molecular FormulaC24H48F2
Molecular Weight374.64 g/mol
Exact Mass374.37
IUPAC Name2,3-difluoro-1-(4-methylcyclohexyl)-4-(5-methylhexan-2-yl)cyclohexane;ethane
SMILESCC.CC.CC(C)CCC(C)C1CCC(C2CCC(C)CC2)C(F)C1F
InChIInChI=1S/C20H36F2.2C2H6/c1-13(2)5-8-15(4)17-11-12-18(20(22)19(17)21)16-9-6-14(3)7-10-16;2*1-2/h13-20H,5-12H2,1-4H3;2*1-2H3
InChIKeySBRGJCKYSTZMEA-UHFFFAOYSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.64
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-difluoro-1-(4-fluoro-5-methylhexan-2-yl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 142421424
2,3-difluoro-1-[4-(5-methylhexan-2-yl)cyclohexyl]-4-sulfanyloxycyclohexane
CID 145231416
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate
CID 160840388
2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene
CID 144922818
1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane
CID 143405112
1-ethoxy-2,3-difluoro-4-[3-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 118592236
1-methyl-2-(5-methylhexan-2-yl)cyclopropane
CID 91344454
6-[1-(4-methylcyclohexyl)ethyl]-1-(6,7,10-trimethylundecan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 123897118
2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)cyclohexyl]-4-propoxycyclohexane
CID 118592218
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
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylcyclohexane;molecular hydrogen;hydrate
CID 159079848
3-[2,3-difluoro-4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol
CID 134271036

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(4-methylcyclohexyl)-4-(5-methylhexan-2-yl)cyclohexane;ethane?
The IUPAC name of 2,3-difluoro-1-(4-methylcyclohexyl)-4-(5-methylhexan-2-yl)cyclohexane;ethane (CID 145325236) is 2,3-difluoro-1-(4-methylcyclohexyl)-4-(5-methylhexan-2-yl)cyclohexane;ethane.
What is the SMILES notation for 2,3-difluoro-1-(4-methylcyclohexyl)-4-(5-methylhexan-2-yl)cyclohexane;ethane?
The canonical SMILES for 2,3-difluoro-1-(4-methylcyclohexyl)-4-(5-methylhexan-2-yl)cyclohexane;ethane is CC.CC.CC(C)CCC(C)C1CCC(C2CCC(C)CC2)C(F)C1F.
What is the InChIKey of 2,3-difluoro-1-(4-methylcyclohexyl)-4-(5-methylhexan-2-yl)cyclohexane;ethane?
The InChIKey is SBRGJCKYSTZMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36F2.2C2H6/c1-13(2)5-8-15(4)17-11-12-18(20(22)19(17)21)16-9-6-14(3)7-10-16;2*1-2/h13-20H,5-12H2,1-4H3;2*1-2H3.
What are the key properties of 2,3-difluoro-1-(4-methylcyclohexyl)-4-(5-methylhexan-2-yl)cyclohexane;ethane?
2,3-difluoro-1-(4-methylcyclohexyl)-4-(5-methylhexan-2-yl)cyclohexane;ethane has a molecular weight of 374.64 g/mol, XLogP of 8.64, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-(4-methylcyclohexyl)-4-(5-methylhexan-2-yl)cyclohexane;ethane is sourced from PubChem (CID 145325236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).