3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1,1-trifluoropropan-2-ol

C11H16F3NO — CID 115685534

IUPAC3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCC1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C11H16F3NO/c12-11(13,14)10(16)6-15-5-9-4-7-1-2-8(9)3-7/h1-2,7-10,15-16H,3-6H2
InChIKeySDSPBLNCIXTSMH-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.71
Rot. Bonds4

About 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1,1-trifluoropropan-2-ol

3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 115685534) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID115685534
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCC1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C11H16F3NO/c12-11(13,14)10(16)6-15-5-9-4-7-1-2-8(9)3-7/h1-2,7-10,15-16H,3-6H2
InChIKeySDSPBLNCIXTSMH-UHFFFAOYSA-N
XLogP1.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1,1-trifluoropropan-2-ol (CID 115685534) is 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1,1-trifluoropropan-2-ol is OC(CNCC1CC2C=CC1C2)C(F)(F)F.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is SDSPBLNCIXTSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c12-11(13,14)10(16)6-15-5-9-4-7-1-2-8(9)3-7/h1-2,7-10,15-16H,3-6H2.
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1,1-trifluoropropan-2-ol?
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 235.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 115685534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).