N-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C11H19F3N2 — CID 115716868

IUPACN-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCC(CC(F)(F)F)NC1CCN2CCCC12
InChIInChI=1S/C11H19F3N2/c1-8(7-11(12,13)14)15-9-4-6-16-5-2-3-10(9)16/h8-10,15H,2-7H2,1H3
InChIKeyXFYNSWKRMVFGIQ-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.15
Rot. Bonds3

About N-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 115716868) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID115716868
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC NameN-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCC(CC(F)(F)F)NC1CCN2CCCC12
InChIInChI=1S/C11H19F3N2/c1-8(7-11(12,13)14)15-9-4-6-16-5-2-3-10(9)16/h8-10,15H,2-7H2,1H3
InChIKeyXFYNSWKRMVFGIQ-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(1-pyrrolidin-1-ylpropan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853044
N-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82852806
N-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752336
N-(1-cyclopentylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 55096518
N-(1-piperidin-2-ylpropan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79539315
N-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43792549
N-(1-cyclohexylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43783420
N-[1-(oxan-4-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 103781301
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2,3-dimethylbutan-2-ol
CID 114492954
N-[1-(1-ethylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694255
N-but-2-ynyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62311737
N-butyl-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)propanamide
CID 54967296

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 115716868) is N-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CC(CC(F)(F)F)NC1CCN2CCCC12.
What is the InChIKey of N-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is XFYNSWKRMVFGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-8(7-11(12,13)14)15-9-4-6-16-5-2-3-10(9)16/h8-10,15H,2-7H2,1H3.
What are the key properties of N-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 236.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 115716868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).