1-(3,3,3-trifluoropropyl)bicyclo[2.2.1]hept-2-ene

C10H13F3 — CID 150614853

IUPAC1-(3,3,3-trifluoropropyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)CCC12C=CC(CC1)C2
InChIInChI=1S/C10H13F3/c11-10(12,13)6-5-9-3-1-8(7-9)2-4-9/h1,3,8H,2,4-7H2
InChIKeyIURBBJGOJYYYQN-UHFFFAOYSA-N
MW190.21 g/mol
LogP3.69
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)bicyclo[2.2.1]hept-2-ene

1-(3,3,3-trifluoropropyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 150614853) has the molecular formula C10H13F3 and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)bicyclo[2.2.1]hept-2-ene
PubChem CID150614853
Molecular FormulaC10H13F3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name1-(3,3,3-trifluoropropyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)CCC12C=CC(CC1)C2
InChIInChI=1S/C10H13F3/c11-10(12,13)6-5-9-3-1-8(7-9)2-4-9/h1,3,8H,2,4-7H2
InChIKeyIURBBJGOJYYYQN-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 53.69
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-(Nonafluorobutyl)bicyclo[2.2.1]hept-2-ene
CID 14024088
Bicyclo(2.2.1)hept-2-ene, 2-trifluoromethyl-
CID 145604
5-(Trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 13070154
5-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene
CID 13685039
Trifluoromethylnorbornene
CID 68637001
6-(Difluoromethylidene)-5,5-dimethylbicyclo[2.2.1]hept-2-ene
CID 12769993
5-(Difluoromethylidene)bicyclo[2.2.1]hept-2-ene
CID 12769996
(1R,2R,5S,6S)-3,3-bis(trifluoromethyl)tricyclo[4.2.1.02,5]non-7-ene
CID 134921993
Butylnorbornene
CID 19091267
Ethylnorbornene
CID 21867936
Hexylnorbornene
CID 21946566
Allylnorbornene
CID 22140151

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1-(3,3,3-trifluoropropyl)bicyclo[2.2.1]hept-2-ene (CID 150614853) is 1-(3,3,3-trifluoropropyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)bicyclo[2.2.1]hept-2-ene is FC(F)(F)CCC12C=CC(CC1)C2.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is IURBBJGOJYYYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3/c11-10(12,13)6-5-9-3-1-8(7-9)2-4-9/h1,3,8H,2,4-7H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)bicyclo[2.2.1]hept-2-ene?
1-(3,3,3-trifluoropropyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 190.21 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 150614853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).