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

C11H15F4N — CID 103529410

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,3,3-tetrafluoropropan-1-amine
SMILESFC(F)C(F)(F)CNCC1CC2C=CC1C2
InChIInChI=1S/C11H15F4N/c12-10(13)11(14,15)6-16-5-9-4-7-1-2-8(9)3-7/h1-2,7-10,16H,3-6H2
InChIKeyWEKLHVOOCPNWMA-UHFFFAOYSA-N
MW237.24 g/mol
LogP2.69
Rot. Bonds5

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

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 103529410) has the molecular formula C11H15F4N and a molecular weight of 237.24 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID103529410
Molecular FormulaC11H15F4N
Molecular Weight237.24 g/mol
Exact Mass237.11
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,3,3-tetrafluoropropan-1-amine
SMILESFC(F)C(F)(F)CNCC1CC2C=CC1C2
InChIInChI=1S/C11H15F4N/c12-10(13)11(14,15)6-16-5-9-4-7-1-2-8(9)3-7/h1-2,7-10,16H,3-6H2
InChIKeyWEKLHVOOCPNWMA-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', '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)-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,3,3-tetrafluoropropan-1-amine (CID 103529410) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,3,3-tetrafluoropropan-1-amine is FC(F)C(F)(F)CNCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is WEKLHVOOCPNWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N/c12-10(13)11(14,15)6-16-5-9-4-7-1-2-8(9)3-7/h1-2,7-10,16H,3-6H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,3,3-tetrafluoropropan-1-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 237.24 g/mol, XLogP of 2.69, 5 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)-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 103529410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).