3-(2-fluoro-1-methoxypropan-2-yl)cyclohexene

C10H17FO — CID 89383945

IUPAC3-(2-fluoro-1-methoxypropan-2-yl)cyclohexene
SMILESCOCC(C)(F)C1C=CCCC1
InChIInChI=1S/C10H17FO/c1-10(11,8-12-2)9-6-4-3-5-7-9/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyVEFIYSLCODXNJZ-UHFFFAOYSA-N
MW172.24 g/mol
LogP2.72
Rot. Bonds3

About 3-(2-fluoro-1-methoxypropan-2-yl)cyclohexene

3-(2-fluoro-1-methoxypropan-2-yl)cyclohexene (PubChem CID 89383945) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is 3-(2-fluoro-1-methoxypropan-2-yl)cyclohexene.

Molecular Properties

Compound Name3-(2-fluoro-1-methoxypropan-2-yl)cyclohexene
PubChem CID89383945
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name3-(2-fluoro-1-methoxypropan-2-yl)cyclohexene
SMILESCOCC(C)(F)C1C=CCCC1
InChIInChI=1S/C10H17FO/c1-10(11,8-12-2)9-6-4-3-5-7-9/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyVEFIYSLCODXNJZ-UHFFFAOYSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-1-methoxypropan-2-yl)cyclohexene?
The IUPAC name of 3-(2-fluoro-1-methoxypropan-2-yl)cyclohexene (CID 89383945) is 3-(2-fluoro-1-methoxypropan-2-yl)cyclohexene.
What is the SMILES notation for 3-(2-fluoro-1-methoxypropan-2-yl)cyclohexene?
The canonical SMILES for 3-(2-fluoro-1-methoxypropan-2-yl)cyclohexene is COCC(C)(F)C1C=CCCC1.
What is the InChIKey of 3-(2-fluoro-1-methoxypropan-2-yl)cyclohexene?
The InChIKey is VEFIYSLCODXNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO/c1-10(11,8-12-2)9-6-4-3-5-7-9/h4,6,9H,3,5,7-8H2,1-2H3.
What are the key properties of 3-(2-fluoro-1-methoxypropan-2-yl)cyclohexene?
3-(2-fluoro-1-methoxypropan-2-yl)cyclohexene has a molecular weight of 172.24 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-1-methoxypropan-2-yl)cyclohexene is sourced from PubChem (CID 89383945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).