1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane

C16H29FO — CID 21337837

IUPAC1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
SMILESCC1CCC(CCC2CCC(OCF)CC2)CC1
InChIInChI=1S/C16H29FO/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)18-12-17/h13-16H,2-12H2,1H3
InChIKeySZPARJIFDBOHNE-UHFFFAOYSA-N
MW256.40 g/mol
LogP5.10
Rot. Bonds5

About 1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane

1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane (PubChem CID 21337837) has the molecular formula C16H29FO and a molecular weight of 256.40 g/mol. Its IUPAC name is 1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane.

Molecular Properties

Compound Name1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
PubChem CID21337837
Molecular FormulaC16H29FO
Molecular Weight256.40 g/mol
Exact Mass256.22
IUPAC Name1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
SMILESCC1CCC(CCC2CCC(OCF)CC2)CC1
InChIInChI=1S/C16H29FO/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)18-12-17/h13-16H,2-12H2,1H3
InChIKeySZPARJIFDBOHNE-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.40
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(trans,trans)-4-Propoxy-4'-propyl-1,1'-bicyclohexyl
CID 545355
1-Methoxy-4-(4-propylcyclohexyl)cyclohexane
CID 556851
1,1'-Bicyclohexyl, 4-methoxy-4'-pentyl-
CID 556870
1-Ethoxy-4-(4-pentylcyclohexyl)cyclohexane
CID 559127
(trans,trans)-4-Ethoxy-4'-propyl-1,1'-bicyclohexyl
CID 559130
1-Ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)cyclohexane
CID 57298880
1-Ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 118971049
(2S,6R)-2,6-dicyclohexyl-4-fluorooxane
CID 46242411
1-(1,1,2,2,2-Pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 11198653
(1alpha,1'beta)-4beta-Pentyl-4'alpha-(trifluoromethoxy)-1,1'-bicyclohexane
CID 15002009
1-Methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 15002010
1-Propyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 15002012

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane?
The IUPAC name of 1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane (CID 21337837) is 1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane.
What is the SMILES notation for 1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane?
The canonical SMILES for 1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane is CC1CCC(CCC2CCC(OCF)CC2)CC1.
What is the InChIKey of 1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane?
The InChIKey is SZPARJIFDBOHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FO/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)18-12-17/h13-16H,2-12H2,1H3.
What are the key properties of 1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane?
1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane has a molecular weight of 256.40 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane is sourced from PubChem (CID 21337837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).