2-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3,3-trifluoropropan-1-amine

C8H13F3N2 — CID 82401389

IUPAC2-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(N1CC2CC2C1)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c9-8(10,11)7(2-12)13-3-5-1-6(5)4-13/h5-7H,1-4,12H2
InChIKeyPKFDRJWTKWAYHE-UHFFFAOYSA-N
MW194.20 g/mol
LogP0.83
Rot. Bonds2

About 2-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3,3-trifluoropropan-1-amine

2-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 82401389) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID82401389
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name2-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(N1CC2CC2C1)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c9-8(10,11)7(2-12)13-3-5-1-6(5)4-13/h5-7H,1-4,12H2
InChIKeyPKFDRJWTKWAYHE-UHFFFAOYSA-N
XLogP0.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-1-((4,4-Difluoropyrrolidin-2-yl)methyl)piperidine
CID 124052743
6,6-Difluoro-2-azabicyclo[3.1.0]hexane
CID 47003585
4,4-Difluoro-2-azabicyclo[3.1.0]hexane
CID 68352878
3-(2,2,2-Trifluoro-1-iodoethyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 89182282
[3-(3,3,3-Trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 90353584
4,4-Difluoro-1-(pyrrolidin-2-ylmethyl)piperidine
CID 115023485
3-(1,1,1-Trifluoro-3-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 117706294
3-(1,1,1-Trifluoropropan-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 117709654
(2R)-4,4,4-trifluoro-3-methyl-1-piperidin-1-ylbutan-2-amine
CID 118067474
4,4-difluoro-1-{[(2S)-pyrrolidin-2-yl]methyl}piperidine
CID 126508525
(2S)-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-2-amine
CID 134355600
trans-(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-propan-2-ylcyclohexan-1-amine
CID 134429458

Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3,3-trifluoropropan-1-amine (CID 82401389) is 2-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3,3-trifluoropropan-1-amine is NCC(N1CC2CC2C1)C(F)(F)F.
What is the InChIKey of 2-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is PKFDRJWTKWAYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c9-8(10,11)7(2-12)13-3-5-1-6(5)4-13/h5-7H,1-4,12H2.
What are the key properties of 2-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3,3-trifluoropropan-1-amine?
2-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 194.20 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 82401389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).