N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[3.2.0]hept-3-en-6-amine

C14H21F3N2 — CID 60856330

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)(F)CN1CCC(CNC2CC3CC=CC32)C1
InChIInChI=1S/C14H21F3N2/c15-14(16,17)9-19-5-4-10(8-19)7-18-13-6-11-2-1-3-12(11)13/h1,3,10-13,18H,2,4-9H2
InChIKeyFSZWHYLIWGXROQ-UHFFFAOYSA-N
MW274.33 g/mol
LogP2.42
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 60856330) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID60856330
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)(F)CN1CCC(CNC2CC3CC=CC32)C1
InChIInChI=1S/C14H21F3N2/c15-14(16,17)9-19-5-4-10(8-19)7-18-13-6-11-2-1-3-12(11)13/h1,3,10-13,18H,2,4-9H2
InChIKeyFSZWHYLIWGXROQ-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methyl-N-[2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethyl]pent-3-en-1-amine
CID 172335441
N-(2,2,2-trifluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43223299
N-[4-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43788016
N-[2-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43788062
N-[3-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43791401
1-cyclohex-3-en-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine
CID 54927121
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 60856485
N-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 63225897
N-(4,4,4-trifluorobutan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine
CID 105932187
N-(2,2,3,3-tetrafluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 106289652
N-(2,2-difluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 115406101
N-(4,4,4-trifluorobutyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 115516604

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 60856330) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[3.2.0]hept-3-en-6-amine is FC(F)(F)CN1CCC(CNC2CC3CC=CC32)C1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is FSZWHYLIWGXROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c15-14(16,17)9-19-5-4-10(8-19)7-18-13-6-11-2-1-3-12(11)13/h1,3,10-13,18H,2,4-9H2.
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 274.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 60856330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).