5-[(1-ethylcyclopentyl)oxy-difluoromethyl]bicyclo[2.2.1]hept-2-ene

C15H22F2O — CID 69021969

IUPAC5-[(1-ethylcyclopentyl)oxy-difluoromethyl]bicyclo[2.2.1]hept-2-ene
SMILESCCC1(OC(F)(F)C2CC3C=CC2C3)CCCC1
InChIInChI=1S/C15H22F2O/c1-2-14(7-3-4-8-14)18-15(16,17)13-10-11-5-6-12(13)9-11/h5-6,11-13H,2-4,7-10H2,1H3
InChIKeyBDXJPZWUADVLFL-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.53
Rot. Bonds4

About 5-[(1-ethylcyclopentyl)oxy-difluoromethyl]bicyclo[2.2.1]hept-2-ene

5-[(1-ethylcyclopentyl)oxy-difluoromethyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 69021969) has the molecular formula C15H22F2O and a molecular weight of 256.34 g/mol. Its IUPAC name is 5-[(1-ethylcyclopentyl)oxy-difluoromethyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[(1-ethylcyclopentyl)oxy-difluoromethyl]bicyclo[2.2.1]hept-2-ene
PubChem CID69021969
Molecular FormulaC15H22F2O
Molecular Weight256.34 g/mol
Exact Mass256.16
IUPAC Name5-[(1-ethylcyclopentyl)oxy-difluoromethyl]bicyclo[2.2.1]hept-2-ene
SMILESCCC1(OC(F)(F)C2CC3C=CC2C3)CCCC1
InChIInChI=1S/C15H22F2O/c1-2-14(7-3-4-8-14)18-15(16,17)13-10-11-5-6-12(13)9-11/h5-6,11-13H,2-4,7-10H2,1H3
InChIKeyBDXJPZWUADVLFL-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[(1-ethylcyclopentyl)oxy-difluoromethyl]bicyclo[2.2.1]hept-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 134993872
3,3,5,5-Tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 15537080
5-[3,3,3-Trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-ene
CID 20743866
5-(1,1,1,3,3,3-Hexafluoro-2-methoxypropan-2-yl)bicyclo[2.2.1]hept-2-ene
CID 22278118
5-(3,3,3-Trifluoro-2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-2-ene
CID 22278123
5-(1,1,1-Trifluoro-2-methoxypropan-2-yl)bicyclo[2.2.1]hept-2-ene
CID 22278129
5-[3,3,3-Trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-ene
CID 22278141
5-[2-Fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene
CID 23405515
5-[2-Fluoro-2-[(2-methylpropan-2-yl)oxy]propyl]bicyclo[2.2.1]hept-2-ene
CID 23405516
5-(2,2,2-Trifluoroethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 58813249
4-(2-Bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1-trifluoro-2,4-dimethylpentan-2-ol
CID 59000306
5-[Difluoro-[(2-methylpropan-2-yl)oxy]methyl]bicyclo[2.2.1]hept-2-ene
CID 69024966

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylcyclopentyl)oxy-difluoromethyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[(1-ethylcyclopentyl)oxy-difluoromethyl]bicyclo[2.2.1]hept-2-ene (CID 69021969) is 5-[(1-ethylcyclopentyl)oxy-difluoromethyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[(1-ethylcyclopentyl)oxy-difluoromethyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[(1-ethylcyclopentyl)oxy-difluoromethyl]bicyclo[2.2.1]hept-2-ene is CCC1(OC(F)(F)C2CC3C=CC2C3)CCCC1.
What is the InChIKey of 5-[(1-ethylcyclopentyl)oxy-difluoromethyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is BDXJPZWUADVLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2O/c1-2-14(7-3-4-8-14)18-15(16,17)13-10-11-5-6-12(13)9-11/h5-6,11-13H,2-4,7-10H2,1H3.
What are the key properties of 5-[(1-ethylcyclopentyl)oxy-difluoromethyl]bicyclo[2.2.1]hept-2-ene?
5-[(1-ethylcyclopentyl)oxy-difluoromethyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 256.34 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylcyclopentyl)oxy-difluoromethyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 69021969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).