5-(2,2,2-trifluoro-1-methoxyethyl)bicyclo[2.2.1]hept-2-ene

C10H13F3O — CID 22278117

IUPAC5-(2,2,2-trifluoro-1-methoxyethyl)bicyclo[2.2.1]hept-2-ene
SMILESCOC(C1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C10H13F3O/c1-14-9(10(11,12)13)8-5-6-2-3-7(8)4-6/h2-3,6-9H,4-5H2,1H3
InChIKeyNMQDPGHPEAPRGU-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.78
Rot. Bonds2

About 5-(2,2,2-trifluoro-1-methoxyethyl)bicyclo[2.2.1]hept-2-ene

5-(2,2,2-trifluoro-1-methoxyethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 22278117) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-(2,2,2-trifluoro-1-methoxyethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(2,2,2-trifluoro-1-methoxyethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID22278117
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name5-(2,2,2-trifluoro-1-methoxyethyl)bicyclo[2.2.1]hept-2-ene
SMILESCOC(C1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C10H13F3O/c1-14-9(10(11,12)13)8-5-6-2-3-7(8)4-6/h2-3,6-9H,4-5H2,1H3
InChIKeyNMQDPGHPEAPRGU-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.78
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

2-{Bicyclo[2.2.1]hept-5-en-2-yl}oxirane
CID 247190
alpha-Methylbicyclo(2.2.1)hept-5-ene-2-methanol
CID 114494
(1S,6R)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene
CID 134928353
5-(Methoxymethyl)norbornene
CID 18400387
1-(5-Norbornene-2-yl)-2,2,4,4,4-pentafluorobutane-1,3-diol
CID 11231086
5-[3,3,3-Trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-ene
CID 20743866
3,3,4-Trifluoro-4-(trifluoromethoxy)tricyclo[4.2.1.02,5]non-7-ene
CID 20754261
2-Fluoro-1-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol
CID 21018015
5-(2-Bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3-pentafluoropentane-2,4-diol
CID 21018033
5-(2-Bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3-pentafluorohexane-2,4-diol
CID 21018037
3-{Bicyclo[2.2.1]hept-5-en-2-yl}-1,1,1-trifluoropropan-2-ol
CID 22023888
1-(2-Bicyclo[2.2.1]hept-5-enyl)-2,2,4,4,4-pentafluoro-3-methoxybutane-1,3-diol
CID 22237067

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoro-1-methoxyethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(2,2,2-trifluoro-1-methoxyethyl)bicyclo[2.2.1]hept-2-ene (CID 22278117) is 5-(2,2,2-trifluoro-1-methoxyethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(2,2,2-trifluoro-1-methoxyethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(2,2,2-trifluoro-1-methoxyethyl)bicyclo[2.2.1]hept-2-ene is COC(C1CC2C=CC1C2)C(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoro-1-methoxyethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is NMQDPGHPEAPRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O/c1-14-9(10(11,12)13)8-5-6-2-3-7(8)4-6/h2-3,6-9H,4-5H2,1H3.
What are the key properties of 5-(2,2,2-trifluoro-1-methoxyethyl)bicyclo[2.2.1]hept-2-ene?
5-(2,2,2-trifluoro-1-methoxyethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 206.21 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoro-1-methoxyethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 22278117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).