N-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine

C6H11F3N2 — CID 84652953

IUPACN-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine
SMILESCNC1CN(CC(F)(F)F)C1
InChIInChI=1S/C6H11F3N2/c1-10-5-2-11(3-5)4-6(7,8)9/h5,10H,2-4H2,1H3
InChIKeyOWUZAHXPQCCZJF-UHFFFAOYSA-N
MW168.16 g/mol
LogP0.45
Rot. Bonds2

About N-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine

N-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine (PubChem CID 84652953) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is N-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine
PubChem CID84652953
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC NameN-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine
SMILESCNC1CN(CC(F)(F)F)C1
InChIInChI=1S/C6H11F3N2/c1-10-5-2-11(3-5)4-6(7,8)9/h5,10H,2-4H2,1H3
InChIKeyOWUZAHXPQCCZJF-UHFFFAOYSA-N
XLogP0.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-methyl-1-(2,2,2-trifluoroethyl)-2,3,4,7-tetrahydroazepin-3-amine
CID 177183491
N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride
CID 122156751
N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-2-amine
CID 121184370
(3S,4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 144825309
3-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 114507762
2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
CID 166529361
N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
CID 79619155
N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide
CID 126774083
6-propan-2-yl-3-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 169176377
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122495210
2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetaldehyde
CID 84657699
N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82706970

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine?
The IUPAC name of N-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine (CID 84652953) is N-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine.
What is the SMILES notation for N-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine?
The canonical SMILES for N-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine is CNC1CN(CC(F)(F)F)C1.
What is the InChIKey of N-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine?
The InChIKey is OWUZAHXPQCCZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2/c1-10-5-2-11(3-5)4-6(7,8)9/h5,10H,2-4H2,1H3.
What are the key properties of N-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine?
N-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine has a molecular weight of 168.16 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine is sourced from PubChem (CID 84652953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).