3-fluoro-1-methoxy-1-pentylcyclohexane

C12H23FO — CID 173404756

IUPAC3-fluoro-1-methoxy-1-pentylcyclohexane
SMILESCCCCCC1(OC)CCCC(F)C1
InChIInChI=1S/C12H23FO/c1-3-4-5-8-12(14-2)9-6-7-11(13)10-12/h11H,3-10H2,1-2H3
InChIKeyGPFVYCUQWJDAMC-UHFFFAOYSA-N
MW202.31 g/mol
LogP3.86
Rot. Bonds5

About 3-fluoro-1-methoxy-1-pentylcyclohexane

3-fluoro-1-methoxy-1-pentylcyclohexane (PubChem CID 173404756) has the molecular formula C12H23FO and a molecular weight of 202.31 g/mol. Its IUPAC name is 3-fluoro-1-methoxy-1-pentylcyclohexane.

Molecular Properties

Compound Name3-fluoro-1-methoxy-1-pentylcyclohexane
PubChem CID173404756
Molecular FormulaC12H23FO
Molecular Weight202.31 g/mol
Exact Mass202.17
IUPAC Name3-fluoro-1-methoxy-1-pentylcyclohexane
SMILESCCCCCC1(OC)CCCC(F)C1
InChIInChI=1S/C12H23FO/c1-3-4-5-8-12(14-2)9-6-7-11(13)10-12/h11H,3-10H2,1-2H3
InChIKeyGPFVYCUQWJDAMC-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.31
LogP ≤ 53.86
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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methoxy-1-pentylcyclohexane?
The IUPAC name of 3-fluoro-1-methoxy-1-pentylcyclohexane (CID 173404756) is 3-fluoro-1-methoxy-1-pentylcyclohexane.
What is the SMILES notation for 3-fluoro-1-methoxy-1-pentylcyclohexane?
The canonical SMILES for 3-fluoro-1-methoxy-1-pentylcyclohexane is CCCCCC1(OC)CCCC(F)C1.
What is the InChIKey of 3-fluoro-1-methoxy-1-pentylcyclohexane?
The InChIKey is GPFVYCUQWJDAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FO/c1-3-4-5-8-12(14-2)9-6-7-11(13)10-12/h11H,3-10H2,1-2H3.
What are the key properties of 3-fluoro-1-methoxy-1-pentylcyclohexane?
3-fluoro-1-methoxy-1-pentylcyclohexane has a molecular weight of 202.31 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methoxy-1-pentylcyclohexane is sourced from PubChem (CID 173404756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).