N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,4,4-trifluorobutan-2-amine

C12H18F3N — CID 104854700

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,4,4-trifluorobutan-2-amine
SMILESCC(CC(F)(F)F)NCC1CC2C=CC1C2
InChIInChI=1S/C12H18F3N/c1-8(6-12(13,14)15)16-7-11-5-9-2-3-10(11)4-9/h2-3,8-11,16H,4-7H2,1H3
InChIKeyFBKIDABAOVGJPY-UHFFFAOYSA-N
MW233.28 g/mol
LogP3.13
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,4,4-trifluorobutan-2-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,4,4-trifluorobutan-2-amine (PubChem CID 104854700) has the molecular formula C12H18F3N and a molecular weight of 233.28 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,4,4-trifluorobutan-2-amine
PubChem CID104854700
Molecular FormulaC12H18F3N
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,4,4-trifluorobutan-2-amine
SMILESCC(CC(F)(F)F)NCC1CC2C=CC1C2
InChIInChI=1S/C12H18F3N/c1-8(6-12(13,14)15)16-7-11-5-9-2-3-10(11)4-9/h2-3,8-11,16H,4-7H2,1H3
InChIKeyFBKIDABAOVGJPY-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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Related Compounds

5-Norbornene-2-methylamine, N-cyclopropyl-
CID 204491
(Bicyclo(2.2.1)hept-5-en-2-ylmethyl)(propan-2-yl)amine
CID 43225117
{Bicyclo[2.2.1]hept-5-en-2-ylmethyl}(butyl)amine
CID 19753053
({Bicyclo[2.2.1]hept-5-en-2-yl}methyl)(tert-butyl)amine
CID 43754984
N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2,2-trifluoroethanamine
CID 58455765
1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
CID 129045764
1-[4-(3-fluorobut-1-enyl)-2-methylcyclopentyl]-N,4-dimethylpentan-1-amine
CID 139394930
4-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 16302489
({Bicyclo[2.2.1]hept-5-en-2-yl}methyl)(propyl)amine
CID 14921525
N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)cyclohexanamine
CID 43225135
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,2-trifluoroethanamine
CID 43225272
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2,2-trifluoroethanamine
CID 43755081

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,4,4-trifluorobutan-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,4,4-trifluorobutan-2-amine (CID 104854700) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,4,4-trifluorobutan-2-amine is CC(CC(F)(F)F)NCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,4,4-trifluorobutan-2-amine?
The InChIKey is FBKIDABAOVGJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N/c1-8(6-12(13,14)15)16-7-11-5-9-2-3-10(11)4-9/h2-3,8-11,16H,4-7H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,4,4-trifluorobutan-2-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,4,4-trifluorobutan-2-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-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 104854700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).