1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane

C21H37F — CID 18344054

IUPAC1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(C3CCC(CCF)CC3)CC2)CC1
InChIInChI=1S/C21H37F/c1-16-2-6-18(7-3-16)20-10-12-21(13-11-20)19-8-4-17(5-9-19)14-15-22/h16-21H,2-15H2,1H3
InChIKeyHZWOLQDRXRCJSB-UHFFFAOYSA-N
MW308.53 g/mol
LogP6.79
Rot. Bonds4

About 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane

1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 18344054) has the molecular formula C21H37F and a molecular weight of 308.53 g/mol. Its IUPAC name is 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
PubChem CID18344054
Molecular FormulaC21H37F
Molecular Weight308.53 g/mol
Exact Mass308.29
IUPAC Name1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(C3CCC(CCF)CC3)CC2)CC1
InChIInChI=1S/C21H37F/c1-16-2-6-18(7-3-16)20-10-12-21(13-11-20)19-8-4-17(5-9-19)14-15-22/h16-21H,2-15H2,1H3
InChIKeyHZWOLQDRXRCJSB-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.53
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane (CID 18344054) is 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane is CC1CCC(C2CCC(C3CCC(CCF)CC3)CC2)CC1.
What is the InChIKey of 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is HZWOLQDRXRCJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37F/c1-16-2-6-18(7-3-16)20-10-12-21(13-11-20)19-8-4-17(5-9-19)14-15-22/h16-21H,2-15H2,1H3.
What are the key properties of 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane?
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 308.53 g/mol, XLogP of 6.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 18344054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).