2-fluoro-1-[4-[2-(4-fluorocyclohexyl)ethyl]cyclohexyl]-4-methylcyclohexane

C21H36F2 — CID 67890085

IUPAC2-fluoro-1-[4-[2-(4-fluorocyclohexyl)ethyl]cyclohexyl]-4-methylcyclohexane
SMILESCC1CCC(C2CCC(CCC3CCC(F)CC3)CC2)C(F)C1
InChIInChI=1S/C21H36F2/c1-15-2-13-20(21(23)14-15)18-9-5-16(6-10-18)3-4-17-7-11-19(22)12-8-17/h15-21H,2-14H2,1H3
InChIKeyGDWUTFAUIQVKNF-UHFFFAOYSA-N
MW326.52 g/mol
LogP6.88
Rot. Bonds4

About 2-fluoro-1-[4-[2-(4-fluorocyclohexyl)ethyl]cyclohexyl]-4-methylcyclohexane

2-fluoro-1-[4-[2-(4-fluorocyclohexyl)ethyl]cyclohexyl]-4-methylcyclohexane (PubChem CID 67890085) has the molecular formula C21H36F2 and a molecular weight of 326.52 g/mol. Its IUPAC name is 2-fluoro-1-[4-[2-(4-fluorocyclohexyl)ethyl]cyclohexyl]-4-methylcyclohexane.

Molecular Properties

Compound Name2-fluoro-1-[4-[2-(4-fluorocyclohexyl)ethyl]cyclohexyl]-4-methylcyclohexane
PubChem CID67890085
Molecular FormulaC21H36F2
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name2-fluoro-1-[4-[2-(4-fluorocyclohexyl)ethyl]cyclohexyl]-4-methylcyclohexane
SMILESCC1CCC(C2CCC(CCC3CCC(F)CC3)CC2)C(F)C1
InChIInChI=1S/C21H36F2/c1-15-2-13-20(21(23)14-15)18-9-5-16(6-10-18)3-4-17-7-11-19(22)12-8-17/h15-21H,2-14H2,1H3
InChIKeyGDWUTFAUIQVKNF-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(4-butylcyclohexyl)-2-fluoro-1-(4-methylcyclohexyl)cyclohexane
CID 70911437
cis-(1R,2S)-2,3-difluoro-1-[4-[3-(2-fluoro-4-methylcyclohexyl)propyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane
CID 90437111
1-(4-butoxycyclohexyl)-2,3-difluoro-4-[3-[4-(2-fluoro-4-methylcyclohexyl)cyclohexyl]propyl]cyclohexane
CID 90437548
2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane;methane;trihydrate
CID 158971717
2-fluoro-1-(4-methylcyclohexyl)-4-(4-methylhexyl)cyclohexane
CID 142988239
3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol
CID 70887654
1-(difluoromethyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane
CID 71119881
1-[2-[4-(4-ethyl-2-fluorocyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-(4-pentylcyclohexyl)cyclohexane
CID 90437161
1-(3,4-dimethylcyclohexyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane;2-fluoro-1-[3-fluoro-4-(4-methylcyclohexyl)cyclohexyl]-4-methylcyclohexane;2-fluoro-1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexane;2-fluoro-4-(3-fluoro-4-methylcyclohexyl)-1-(4-methylcyclohexyl)cyclohexane;dodecahydrate
CID 158122685
2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
CID 142486171
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]butyl]cyclohexane
CID 142900014
(3S)-1-cyclohexyl-2,3-difluoro-4-[2-[4-(2-fluoro-4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexane
CID 90437163

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[4-[2-(4-fluorocyclohexyl)ethyl]cyclohexyl]-4-methylcyclohexane?
The IUPAC name of 2-fluoro-1-[4-[2-(4-fluorocyclohexyl)ethyl]cyclohexyl]-4-methylcyclohexane (CID 67890085) is 2-fluoro-1-[4-[2-(4-fluorocyclohexyl)ethyl]cyclohexyl]-4-methylcyclohexane.
What is the SMILES notation for 2-fluoro-1-[4-[2-(4-fluorocyclohexyl)ethyl]cyclohexyl]-4-methylcyclohexane?
The canonical SMILES for 2-fluoro-1-[4-[2-(4-fluorocyclohexyl)ethyl]cyclohexyl]-4-methylcyclohexane is CC1CCC(C2CCC(CCC3CCC(F)CC3)CC2)C(F)C1.
What is the InChIKey of 2-fluoro-1-[4-[2-(4-fluorocyclohexyl)ethyl]cyclohexyl]-4-methylcyclohexane?
The InChIKey is GDWUTFAUIQVKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36F2/c1-15-2-13-20(21(23)14-15)18-9-5-16(6-10-18)3-4-17-7-11-19(22)12-8-17/h15-21H,2-14H2,1H3.
What are the key properties of 2-fluoro-1-[4-[2-(4-fluorocyclohexyl)ethyl]cyclohexyl]-4-methylcyclohexane?
2-fluoro-1-[4-[2-(4-fluorocyclohexyl)ethyl]cyclohexyl]-4-methylcyclohexane has a molecular weight of 326.52 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[4-[2-(4-fluorocyclohexyl)ethyl]cyclohexyl]-4-methylcyclohexane is sourced from PubChem (CID 67890085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).