2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane

C9H14F3N — CID 130608809

IUPAC2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane
SMILESFC(F)(F)CCN1CCCC2CC21
InChIInChI=1S/C9H14F3N/c10-9(11,12)3-5-13-4-1-2-7-6-8(7)13/h7-8H,1-6H2
InChIKeyLLZSGBDFKJGIIV-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.42
Rot. Bonds2

About 2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane

2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane (PubChem CID 130608809) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane
PubChem CID130608809
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane
SMILESFC(F)(F)CCN1CCCC2CC21
InChIInChI=1S/C9H14F3N/c10-9(11,12)3-5-13-4-1-2-7-6-8(7)13/h7-8H,1-6H2
InChIKeyLLZSGBDFKJGIIV-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane with MolForge

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Related Compounds

(1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane
CID 130645060
2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339029
1-(3,3,3-trifluoropropyl)pyrrolidine-2-carbaldehyde
CID 84665895
1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol
CID 131177109
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 64566095
(1S,6R)-2-prop-2-ynyl-2-azabicyclo[4.1.0]heptane
CID 130991319
2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile
CID 131084599
N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62554565
1-(2,2,2-trifluoroethyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681427
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutan-2-ol
CID 79361995
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride
CID 119916056
(1S,6R)-2-(2-bromoprop-2-enyl)-2-azabicyclo[4.1.0]heptane
CID 131207018

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane?
The IUPAC name of 2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane (CID 130608809) is 2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane is FC(F)(F)CCN1CCCC2CC21.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane?
The InChIKey is LLZSGBDFKJGIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c10-9(11,12)3-5-13-4-1-2-7-6-8(7)13/h7-8H,1-6H2.
What are the key properties of 2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane?
2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane has a molecular weight of 193.21 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 130608809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).