5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene

C10H11F5O — CID 58782400

IUPAC5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene
SMILESCCC(F)(F)OC1(F)C2C=CC(C2)C1(F)F
InChIInChI=1S/C10H11F5O/c1-2-8(11,12)16-10(15)7-4-3-6(5-7)9(10,13)14/h3-4,6-7H,2,5H2,1H3
InChIKeyOMCQHBMTSXMHOG-UHFFFAOYSA-N
MW242.19 g/mol
LogP3.51
Rot. Bonds3

About 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene

5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene (PubChem CID 58782400) has the molecular formula C10H11F5O and a molecular weight of 242.19 g/mol. Its IUPAC name is 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene
PubChem CID58782400
Molecular FormulaC10H11F5O
Molecular Weight242.19 g/mol
Exact Mass242.07
IUPAC Name5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene
SMILESCCC(F)(F)OC1(F)C2C=CC(C2)C1(F)F
InChIInChI=1S/C10H11F5O/c1-2-8(11,12)16-10(15)7-4-3-6(5-7)9(10,13)14/h3-4,6-7H,2,5H2,1H3
InChIKeyOMCQHBMTSXMHOG-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[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

Bicyclo[2.2.1]hept-2-ene, 5,5,6-trifluoro-6-(heptafluoropropoxy)-
CID 548665
5,5,6-Trifluoro-6-(trifluoromethoxy)bicyclo[2.2.1]hept-2-ene
CID 13791002
(2,3,3-Trifluoro-2-bicyclo[2.2.1]hept-5-enyl) acetate
CID 21946961
5,6,7-Trifluoro-5-(trifluoromethoxy)bicyclo[2.2.1]hept-2-ene
CID 22023918
5,5,6-Trifluoro-6-(1,1,2,2,3-pentafluoropropoxy)bicyclo[2.2.1]hept-2-ene
CID 22991725
5-(Fluoromethoxy)bicyclo[2.2.1]hept-2-ene
CID 57549441
5-(2,2,3,3,4,4,5,5-Octafluoropentoxy)bicyclo[2.2.1]hept-2-ene
CID 57628969
5-(2,2,3,3,4,4,6,6,7,7,8,8,9,9-Tetradecafluorononoxy)bicyclo[2.2.1]hept-2-ene
CID 57629058
5,5,6-Trifluoro-6-methoxybicyclo[2.2.1]hept-2-ene
CID 58779429
5-(1,1-Difluoropropoxy)-1,2,3,4,5,6,6,7,7-nonafluorobicyclo[2.2.1]hept-2-ene
CID 58782398
5-(1,1,1,3,3,3-Hexafluoro-2-methoxypropan-2-yl)oxybicyclo[2.2.1]hept-2-ene
CID 58887036
(5S)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]bicyclo[2.2.1]hept-2-ene
CID 59080048

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene (CID 58782400) is 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene is CCC(F)(F)OC1(F)C2C=CC(C2)C1(F)F.
What is the InChIKey of 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene?
The InChIKey is OMCQHBMTSXMHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5O/c1-2-8(11,12)16-10(15)7-4-3-6(5-7)9(10,13)14/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene?
5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene has a molecular weight of 242.19 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 58782400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).