4-[(3-fluoro-1,2,3-trimethylcyclobutyl)methyl]cyclohexene

C14H23F — CID 166922428

IUPAC4-[(3-fluoro-1,2,3-trimethylcyclobutyl)methyl]cyclohexene
SMILESCC1C(C)(F)CC1(C)CC1CC=CCC1
InChIInChI=1S/C14H23F/c1-11-13(2,10-14(11,3)15)9-12-7-5-4-6-8-12/h4-5,11-12H,6-10H2,1-3H3
InChIKeyVDTBBQOPTANMTL-UHFFFAOYSA-N
MW210.34 g/mol
LogP4.51
Rot. Bonds2

About 4-[(3-fluoro-1,2,3-trimethylcyclobutyl)methyl]cyclohexene

4-[(3-fluoro-1,2,3-trimethylcyclobutyl)methyl]cyclohexene (PubChem CID 166922428) has the molecular formula C14H23F and a molecular weight of 210.34 g/mol. Its IUPAC name is 4-[(3-fluoro-1,2,3-trimethylcyclobutyl)methyl]cyclohexene.

Molecular Properties

Compound Name4-[(3-fluoro-1,2,3-trimethylcyclobutyl)methyl]cyclohexene
PubChem CID166922428
Molecular FormulaC14H23F
Molecular Weight210.34 g/mol
Exact Mass210.18
IUPAC Name4-[(3-fluoro-1,2,3-trimethylcyclobutyl)methyl]cyclohexene
SMILESCC1C(C)(F)CC1(C)CC1CC=CCC1
InChIInChI=1S/C14H23F/c1-11-13(2,10-14(11,3)15)9-12-7-5-4-6-8-12/h4-5,11-12H,6-10H2,1-3H3
InChIKeyVDTBBQOPTANMTL-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 4-[(3-fluoro-1,2,3-trimethylcyclobutyl)methyl]cyclohexene?
The IUPAC name of 4-[(3-fluoro-1,2,3-trimethylcyclobutyl)methyl]cyclohexene (CID 166922428) is 4-[(3-fluoro-1,2,3-trimethylcyclobutyl)methyl]cyclohexene.
What is the SMILES notation for 4-[(3-fluoro-1,2,3-trimethylcyclobutyl)methyl]cyclohexene?
The canonical SMILES for 4-[(3-fluoro-1,2,3-trimethylcyclobutyl)methyl]cyclohexene is CC1C(C)(F)CC1(C)CC1CC=CCC1.
What is the InChIKey of 4-[(3-fluoro-1,2,3-trimethylcyclobutyl)methyl]cyclohexene?
The InChIKey is VDTBBQOPTANMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F/c1-11-13(2,10-14(11,3)15)9-12-7-5-4-6-8-12/h4-5,11-12H,6-10H2,1-3H3.
What are the key properties of 4-[(3-fluoro-1,2,3-trimethylcyclobutyl)methyl]cyclohexene?
4-[(3-fluoro-1,2,3-trimethylcyclobutyl)methyl]cyclohexene has a molecular weight of 210.34 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-1,2,3-trimethylcyclobutyl)methyl]cyclohexene is sourced from PubChem (CID 166922428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).