1-[1-(2,2-difluoroethyl)azetidin-3-yl]-N-methylmethanamine

C7H14F2N2 — CID 84651844

IUPAC1-[1-(2,2-difluoroethyl)azetidin-3-yl]-N-methylmethanamine
SMILESCNCC1CN(CC(F)F)C1
InChIInChI=1S/C7H14F2N2/c1-10-2-6-3-11(4-6)5-7(8)9/h6-7,10H,2-5H2,1H3
InChIKeyYJCVWJWCURLTIL-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.40
Rot. Bonds4

About 1-[1-(2,2-difluoroethyl)azetidin-3-yl]-N-methylmethanamine

1-[1-(2,2-difluoroethyl)azetidin-3-yl]-N-methylmethanamine (PubChem CID 84651844) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)azetidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)azetidin-3-yl]-N-methylmethanamine
PubChem CID84651844
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name1-[1-(2,2-difluoroethyl)azetidin-3-yl]-N-methylmethanamine
SMILESCNCC1CN(CC(F)F)C1
InChIInChI=1S/C7H14F2N2/c1-10-2-6-3-11(4-6)5-7(8)9/h6-7,10H,2-5H2,1H3
InChIKeyYJCVWJWCURLTIL-UHFFFAOYSA-N
XLogP0.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(chloromethyl)-1-(2,2-difluoroethyl)azetidine
CID 130531167
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580790
N-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine
CID 102906426
1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane
CID 169182399
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62593255
1-methoxy-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 63929272
1-(2,2-difluoroethyl)-3,7-dimethyl-1,5-diazocane
CID 115408499
(4S)-1-(2,2-difluoroethyl)-3-fluoro-4-methylpyrrolidine;ethane
CID 177212700
2-(2,2-difluoroethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 130628620
2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 103514154
N-methyl-1-[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanamine
CID 63966540
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511549

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)azetidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,2-difluoroethyl)azetidin-3-yl]-N-methylmethanamine (CID 84651844) is 1-[1-(2,2-difluoroethyl)azetidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)azetidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)azetidin-3-yl]-N-methylmethanamine is CNCC1CN(CC(F)F)C1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)azetidin-3-yl]-N-methylmethanamine?
The InChIKey is YJCVWJWCURLTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-10-2-6-3-11(4-6)5-7(8)9/h6-7,10H,2-5H2,1H3.
What are the key properties of 1-[1-(2,2-difluoroethyl)azetidin-3-yl]-N-methylmethanamine?
1-[1-(2,2-difluoroethyl)azetidin-3-yl]-N-methylmethanamine has a molecular weight of 164.20 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)azetidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 84651844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).