N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,2-trifluoroethanamine

C10H14F3N — CID 43225272

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCC1CC2C=CC1C2
InChIInChI=1S/C10H14F3N/c11-10(12,13)6-14-5-9-4-7-1-2-8(9)3-7/h1-2,7-9,14H,3-6H2
InChIKeyNYKOGDPJDAJVFJ-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.35
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,2-trifluoroethanamine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,2-trifluoroethanamine (PubChem CID 43225272) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,2-trifluoroethanamine
PubChem CID43225272
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCC1CC2C=CC1C2
InChIInChI=1S/C10H14F3N/c11-10(12,13)6-14-5-9-4-7-1-2-8(9)3-7/h1-2,7-9,14H,3-6H2
InChIKeyNYKOGDPJDAJVFJ-UHFFFAOYSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.35
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-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,2-trifluoroethanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,2-trifluoroethanamine (CID 43225272) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,2-trifluoroethanamine is FC(F)(F)CNCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,2-trifluoroethanamine?
The InChIKey is NYKOGDPJDAJVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c11-10(12,13)6-14-5-9-4-7-1-2-8(9)3-7/h1-2,7-9,14H,3-6H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,2-trifluoroethanamine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,2-trifluoroethanamine has a molecular weight of 205.22 g/mol, XLogP of 2.35, 3 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)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 43225272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).