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

C11H16F3N — CID 63226603

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCC1CC2C=CC1C2
InChIInChI=1S/C11H16F3N/c12-11(13,14)3-4-15-7-10-6-8-1-2-9(10)5-8/h1-2,8-10,15H,3-7H2
InChIKeyKLZADIZBYGZXBZ-UHFFFAOYSA-N
MW219.25 g/mol
LogP2.74
Rot. Bonds4

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

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 63226603) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID63226603
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCC1CC2C=CC1C2
InChIInChI=1S/C11H16F3N/c12-11(13,14)3-4-15-7-10-6-8-1-2-9(10)5-8/h1-2,8-10,15H,3-7H2
InChIKeyKLZADIZBYGZXBZ-UHFFFAOYSA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3,3-trifluoropropan-1-amine (CID 63226603) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3,3-trifluoropropan-1-amine is FC(F)(F)CCNCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is KLZADIZBYGZXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N/c12-11(13,14)3-4-15-7-10-6-8-1-2-9(10)5-8/h1-2,8-10,15H,3-7H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3,3-trifluoropropan-1-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 219.25 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 63226603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).