1-(2,2-difluoroethyl)azetidin-3-amine

C5H10F2N2 — CID 63761125

IUPAC1-(2,2-difluoroethyl)azetidin-3-amine
SMILESNC1CN(CC(F)F)C1
InChIInChI=1S/C5H10F2N2/c6-5(7)3-9-1-4(8)2-9/h4-5H,1-3,8H2
InChIKeyZPWBDNIETFFTFF-UHFFFAOYSA-N
MW136.15 g/mol
LogP-0.11
Rot. Bonds2

About 1-(2,2-difluoroethyl)azetidin-3-amine

1-(2,2-difluoroethyl)azetidin-3-amine (PubChem CID 63761125) has the molecular formula C5H10F2N2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)azetidin-3-amine
PubChem CID63761125
Molecular FormulaC5H10F2N2
Molecular Weight136.15 g/mol
Exact Mass136.08
IUPAC Name1-(2,2-difluoroethyl)azetidin-3-amine
SMILESNC1CN(CC(F)F)C1
InChIInChI=1S/C5H10F2N2/c6-5(7)3-9-1-4(8)2-9/h4-5H,1-3,8H2
InChIKeyZPWBDNIETFFTFF-UHFFFAOYSA-N
XLogP-0.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 59303554
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CID 59605385
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CID 59605425
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CID 61348373
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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)azetidin-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)azetidin-3-amine (CID 63761125) is 1-(2,2-difluoroethyl)azetidin-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)azetidin-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)azetidin-3-amine is NC1CN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)azetidin-3-amine?
The InChIKey is ZPWBDNIETFFTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2/c6-5(7)3-9-1-4(8)2-9/h4-5H,1-3,8H2.
What are the key properties of 1-(2,2-difluoroethyl)azetidin-3-amine?
1-(2,2-difluoroethyl)azetidin-3-amine has a molecular weight of 136.15 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)azetidin-3-amine is sourced from PubChem (CID 63761125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).