N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,3,3-trifluoropropan-1-amine

C12H18F3N — CID 63226032

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESCC(NCCC(F)(F)F)C1CC2C=CC1C2
InChIInChI=1S/C12H18F3N/c1-8(16-5-4-12(13,14)15)11-7-9-2-3-10(11)6-9/h2-3,8-11,16H,4-7H2,1H3
InChIKeyIESIZRJIXDVSDI-UHFFFAOYSA-N
MW233.28 g/mol
LogP3.13
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,3,3-trifluoropropan-1-amine

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 63226032) has the molecular formula C12H18F3N and a molecular weight of 233.28 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,3,3-trifluoropropan-1-amine
PubChem CID63226032
Molecular FormulaC12H18F3N
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESCC(NCCC(F)(F)F)C1CC2C=CC1C2
InChIInChI=1S/C12H18F3N/c1-8(16-5-4-12(13,14)15)11-7-9-2-3-10(11)6-9/h2-3,8-11,16H,4-7H2,1H3
InChIKeyIESIZRJIXDVSDI-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 53.13
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 N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,3,3-trifluoropropan-1-amine (CID 63226032) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,3,3-trifluoropropan-1-amine is CC(NCCC(F)(F)F)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is IESIZRJIXDVSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N/c1-8(16-5-4-12(13,14)15)11-7-9-2-3-10(11)6-9/h2-3,8-11,16H,4-7H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,3,3-trifluoropropan-1-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 233.28 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 63226032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).