1-(2-fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane

C15H27FO — CID 18344037

IUPAC1-(2-fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane
SMILESCOC1CCC(C2CCC(CCF)CC2)CC1
InChIInChI=1S/C15H27FO/c1-17-15-8-6-14(7-9-15)13-4-2-12(3-5-13)10-11-16/h12-15H,2-11H2,1H3
InChIKeyOTABAUVCWWEINM-UHFFFAOYSA-N
MW242.38 g/mol
LogP4.36
Rot. Bonds4

About 1-(2-fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane

1-(2-fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane (PubChem CID 18344037) has the molecular formula C15H27FO and a molecular weight of 242.38 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane
PubChem CID18344037
Molecular FormulaC15H27FO
Molecular Weight242.38 g/mol
Exact Mass242.20
IUPAC Name1-(2-fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane
SMILESCOC1CCC(C2CCC(CCF)CC2)CC1
InChIInChI=1S/C15H27FO/c1-17-15-8-6-14(7-9-15)13-4-2-12(3-5-13)10-11-16/h12-15H,2-11H2,1H3
InChIKeyOTABAUVCWWEINM-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane?
The IUPAC name of 1-(2-fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane (CID 18344037) is 1-(2-fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane.
What is the SMILES notation for 1-(2-fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane?
The canonical SMILES for 1-(2-fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane is COC1CCC(C2CCC(CCF)CC2)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane?
The InChIKey is OTABAUVCWWEINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FO/c1-17-15-8-6-14(7-9-15)13-4-2-12(3-5-13)10-11-16/h12-15H,2-11H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane?
1-(2-fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane has a molecular weight of 242.38 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane is sourced from PubChem (CID 18344037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).