N-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane

C8H18F2N2 — CID 145168742

IUPACN-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane
SMILESCC.CN(CC(F)F)C1CNC1
InChIInChI=1S/C6H12F2N2.C2H6/c1-10(4-6(7)8)5-2-9-3-5;1-2/h5-6,9H,2-4H2,1H3;1-2H3
InChIKeyLRIKYTAWBHHOHD-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.18
Rot. Bonds3

About N-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane

N-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane (PubChem CID 145168742) has the molecular formula C8H18F2N2 and a molecular weight of 180.24 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane
PubChem CID145168742
Molecular FormulaC8H18F2N2
Molecular Weight180.24 g/mol
Exact Mass180.14
IUPAC NameN-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane
SMILESCC.CN(CC(F)F)C1CNC1
InChIInChI=1S/C6H12F2N2.C2H6/c1-10(4-6(7)8)5-2-9-3-5;1-2/h5-6,9H,2-4H2,1H3;1-2H3
InChIKeyLRIKYTAWBHHOHD-UHFFFAOYSA-N
XLogP1.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-methyl-N-(3-methylbutyl)azetidin-3-amine
CID 163376293
1-[azetidin-3-yl(methyl)amino]-3-fluoropropan-2-ol
CID 131219839
ethane;N-methyl-N-propylazetidin-3-amine
CID 144899605
N-(2,2-difluoroethyl)-N,2,6-trimethylpiperidin-4-amine
CID 130507551
N-methyl-N-(4-methylpentyl)azetidin-3-amine
CID 83158943
2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide
CID 115738577
N-(2,2-difluoropropyl)-N-methylazetidin-3-amine
CID 84651854
N,5-dimethyl-N-(2-methylpropyl)piperidin-3-amine
CID 115373375
N-(3,3-dimethylbutyl)-N-methylazetidin-3-amine
CID 66186139
N-methyl-N-prop-2-ynylazetidin-3-amine
CID 66185274
N-methyl-N-(2-propan-2-ylsulfonylethyl)azetidin-3-amine
CID 84686176
N-methyl-N-(2-methylpropyl)piperidin-3-amine
CID 43317078

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane?
The IUPAC name of N-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane (CID 145168742) is N-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane?
The canonical SMILES for N-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane is CC.CN(CC(F)F)C1CNC1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane?
The InChIKey is LRIKYTAWBHHOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2.C2H6/c1-10(4-6(7)8)5-2-9-3-5;1-2/h5-6,9H,2-4H2,1H3;1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane?
N-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane has a molecular weight of 180.24 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane is sourced from PubChem (CID 145168742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).