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

C10H15F2N — CID 115405871

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-difluoroethanamine
SMILESFC(F)CNCC1CC2C=CC1C2
InChIInChI=1S/C10H15F2N/c11-10(12)6-13-5-9-4-7-1-2-8(9)3-7/h1-2,7-10,13H,3-6H2
InChIKeyXXEXSOPKELSCNP-UHFFFAOYSA-N
MW187.23 g/mol
LogP2.05
Rot. Bonds4

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

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-difluoroethanamine (PubChem CID 115405871) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-difluoroethanamine
PubChem CID115405871
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-difluoroethanamine
SMILESFC(F)CNCC1CC2C=CC1C2
InChIInChI=1S/C10H15F2N/c11-10(12)6-13-5-9-4-7-1-2-8(9)3-7/h1-2,7-10,13H,3-6H2
InChIKeyXXEXSOPKELSCNP-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 52.05
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-(2-bicyclo[2.2.1]hept-5-enyl)-N-(trifluoromethylsulfanyl)methanamine
CID 123333492
({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-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroethanamine
CID 43180485
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
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788014

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-difluoroethanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-difluoroethanamine (CID 115405871) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-difluoroethanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-difluoroethanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-difluoroethanamine is FC(F)CNCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-difluoroethanamine?
The InChIKey is XXEXSOPKELSCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N/c11-10(12)6-13-5-9-4-7-1-2-8(9)3-7/h1-2,7-10,13H,3-6H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-difluoroethanamine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-difluoroethanamine has a molecular weight of 187.23 g/mol, XLogP of 2.05, 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)-2,2-difluoroethanamine is sourced from PubChem (CID 115405871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).