5-(fluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene

C9H13FO — CID 66601762

IUPAC5-(fluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESFCOCC1CC2C=CC1C2
InChIInChI=1S/C9H13FO/c10-6-11-5-9-4-7-1-2-8(9)3-7/h1-2,7-9H,3-6H2
InChIKeyMFXYFFUITLYLQV-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.14
Rot. Bonds3

About 5-(fluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene

5-(fluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 66601762) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 5-(fluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(fluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID66601762
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name5-(fluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESFCOCC1CC2C=CC1C2
InChIInChI=1S/C9H13FO/c10-6-11-5-9-4-7-1-2-8(9)3-7/h1-2,7-9H,3-6H2
InChIKeyMFXYFFUITLYLQV-UHFFFAOYSA-N
XLogP2.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bicyclo(2.2.1)hept-5-ene-2-methanol
CID 78946
(5R)-5-Hydroxymethylbicyclo[2.2.1]hept-2-ene
CID 12268643
Unii-B4Q97fdn44
CID 6579449
2-{Bicyclo[2.2.1]hept-5-en-2-yl}oxirane
CID 247190
Bicyclo[2.2.1]hept-5-ene-2-methanol, (1R,2R,4R)-
CID 1868169
Bicyclo(2.2.1)hept-5-ene-2-methanol, (1R,2S,4R)-
CID 1868170
5-Norbornene-2-methanol, exo-
CID 12268642
5,6-Bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 15474566
5-(Methoxymethyl)norbornene
CID 18400387
(1S,4S)-Bicyclo[2.2.1]hept-5-ene-2-methanol
CID 51051627
5-(Octaoxymethyl)-2-norbornene
CID 86185185
5-Norbornene-2-methanol ethylene
CID 86640905

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(fluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene (CID 66601762) is 5-(fluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(fluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(fluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene is FCOCC1CC2C=CC1C2.
What is the InChIKey of 5-(fluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is MFXYFFUITLYLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c10-6-11-5-9-4-7-1-2-8(9)3-7/h1-2,7-9H,3-6H2.
What are the key properties of 5-(fluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene?
5-(fluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 156.20 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 66601762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).