5-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]hept-2-ene

C14H14F2 — CID 66601561

IUPAC5-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]hept-2-ene
SMILESFc1ccc(CC2CC3C=CC2C3)cc1F
InChIInChI=1S/C14H14F2/c15-13-4-2-10(8-14(13)16)7-12-6-9-1-3-11(12)5-9/h1-4,8-9,11-12H,5-7H2
InChIKeyFQTWNZNWCJRFEE-UHFFFAOYSA-N
MW220.26 g/mol
LogP3.72
Rot. Bonds2

About 5-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]hept-2-ene

5-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 66601561) has the molecular formula C14H14F2 and a molecular weight of 220.26 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]hept-2-ene
PubChem CID66601561
Molecular FormulaC14H14F2
Molecular Weight220.26 g/mol
Exact Mass220.11
IUPAC Name5-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]hept-2-ene
SMILESFc1ccc(CC2CC3C=CC2C3)cc1F
InChIInChI=1S/C14H14F2/c15-13-4-2-10(8-14(13)16)7-12-6-9-1-3-11(12)5-9/h1-4,8-9,11-12H,5-7H2
InChIKeyFQTWNZNWCJRFEE-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-fluoro-3-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene
CID 129199689
2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine
CID 82935009
trans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 99993220
1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
CID 82934724
4-(cyclobutylmethyl)-1,2-difluorobenzene
CID 58414524
4-[(2-bromo-5-ethylcyclohexyl)methyl]-1,2-difluorobenzene
CID 82930424
(3,4-difluorophenyl)methanol
CID 522833
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-bromo-2,6-difluoroaniline
CID 65467908
5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene
CID 21426212
2-[(3,4-difluorophenyl)methyl]-3-methylthiomorpholine
CID 82293845
2-[(3,4-difluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 82920745
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]hept-2-ene (CID 66601561) is 5-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]hept-2-ene is Fc1ccc(CC2CC3C=CC2C3)cc1F.
What is the InChIKey of 5-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is FQTWNZNWCJRFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2/c15-13-4-2-10(8-14(13)16)7-12-6-9-1-3-11(12)5-9/h1-4,8-9,11-12H,5-7H2.
What are the key properties of 5-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]hept-2-ene?
5-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 220.26 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 66601561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).