3-(3,3,3-trifluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol

C10H11F3O — CID 134855740

IUPAC3-(3,3,3-trifluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESC=C(C1C2C=CC(C2)C1O)C(F)(F)F
InChIInChI=1S/C10H11F3O/c1-5(10(11,12)13)8-6-2-3-7(4-6)9(8)14/h2-3,6-9,14H,1,4H2
InChIKeyBDSPPJKIGHGSBF-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.29
Rot. Bonds1

About 3-(3,3,3-trifluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol

3-(3,3,3-trifluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 134855740) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-(3,3,3-trifluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name3-(3,3,3-trifluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol
PubChem CID134855740
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name3-(3,3,3-trifluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESC=C(C1C2C=CC(C2)C1O)C(F)(F)F
InChIInChI=1S/C10H11F3O/c1-5(10(11,12)13)8-6-2-3-7(4-6)9(8)14/h2-3,6-9,14H,1,4H2
InChIKeyBDSPPJKIGHGSBF-UHFFFAOYSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of 3-(3,3,3-trifluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol (CID 134855740) is 3-(3,3,3-trifluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for 3-(3,3,3-trifluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for 3-(3,3,3-trifluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol is C=C(C1C2C=CC(C2)C1O)C(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is BDSPPJKIGHGSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-5(10(11,12)13)8-6-2-3-7(4-6)9(8)14/h2-3,6-9,14H,1,4H2.
What are the key properties of 3-(3,3,3-trifluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol?
3-(3,3,3-trifluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 204.19 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 134855740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).