1-(fluoromethoxy)-4-pentylcyclohexane

C12H23FO — CID 58719041

IUPAC1-(fluoromethoxy)-4-pentylcyclohexane
SMILESCCCCCC1CCC(OCF)CC1
InChIInChI=1S/C12H23FO/c1-2-3-4-5-11-6-8-12(9-7-11)14-10-13/h11-12H,2-10H2,1H3
InChIKeyWXJZHUCYNCVFQV-UHFFFAOYSA-N
MW202.31 g/mol
LogP4.07
Rot. Bonds6

About 1-(fluoromethoxy)-4-pentylcyclohexane

1-(fluoromethoxy)-4-pentylcyclohexane (PubChem CID 58719041) has the molecular formula C12H23FO and a molecular weight of 202.31 g/mol. Its IUPAC name is 1-(fluoromethoxy)-4-pentylcyclohexane.

Molecular Properties

Compound Name1-(fluoromethoxy)-4-pentylcyclohexane
PubChem CID58719041
Molecular FormulaC12H23FO
Molecular Weight202.31 g/mol
Exact Mass202.17
IUPAC Name1-(fluoromethoxy)-4-pentylcyclohexane
SMILESCCCCCC1CCC(OCF)CC1
InChIInChI=1S/C12H23FO/c1-2-3-4-5-11-6-8-12(9-7-11)14-10-13/h11-12H,2-10H2,1H3
InChIKeyWXJZHUCYNCVFQV-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
1-Methoxy-4-tert-pentylcyclohexane
CID 3420996
1-Methoxy-4-methylcyclohexane
CID 6336264
1-Methoxy-4-(propan-2-yl)cyclohexane
CID 23594959
Cyclohexane, (1-methoxyethyl)-
CID 106834
(2R,4S)-2-cyclohexyl-4-fluorooxane
CID 146168810
1-Methoxy-3-pentylcyclohexane
CID 101551563
(2S,4S)-4-Methyl-2-(2-methylpropyl)oxane
CID 12684605
5-Methoxypentylcyclohexane
CID 54110901
(2S,4R)-2-cyclohexyl-4-fluorooxane
CID 11745349
(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
CID 14492060
cis-2,6-Dimethyl-1-methoxycyclohexane
CID 14979249

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-4-pentylcyclohexane?
The IUPAC name of 1-(fluoromethoxy)-4-pentylcyclohexane (CID 58719041) is 1-(fluoromethoxy)-4-pentylcyclohexane.
What is the SMILES notation for 1-(fluoromethoxy)-4-pentylcyclohexane?
The canonical SMILES for 1-(fluoromethoxy)-4-pentylcyclohexane is CCCCCC1CCC(OCF)CC1.
What is the InChIKey of 1-(fluoromethoxy)-4-pentylcyclohexane?
The InChIKey is WXJZHUCYNCVFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FO/c1-2-3-4-5-11-6-8-12(9-7-11)14-10-13/h11-12H,2-10H2,1H3.
What are the key properties of 1-(fluoromethoxy)-4-pentylcyclohexane?
1-(fluoromethoxy)-4-pentylcyclohexane has a molecular weight of 202.31 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-4-pentylcyclohexane is sourced from PubChem (CID 58719041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).