[1-(1,1-difluoropropan-2-yl)azetidin-2-yl]methanamine

C7H14F2N2 — CID 164644701

IUPAC[1-(1,1-difluoropropan-2-yl)azetidin-2-yl]methanamine
SMILESCC(C(F)F)N1CCC1CN
InChIInChI=1S/C7H14F2N2/c1-5(7(8)9)11-3-2-6(11)4-10/h5-7H,2-4,10H2,1H3
InChIKeyISMFMQNUGZPOMA-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.67
Rot. Bonds3

About [1-(1,1-difluoropropan-2-yl)azetidin-2-yl]methanamine

[1-(1,1-difluoropropan-2-yl)azetidin-2-yl]methanamine (PubChem CID 164644701) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is [1-(1,1-difluoropropan-2-yl)azetidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(1,1-difluoropropan-2-yl)azetidin-2-yl]methanamine
PubChem CID164644701
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name[1-(1,1-difluoropropan-2-yl)azetidin-2-yl]methanamine
SMILESCC(C(F)F)N1CCC1CN
InChIInChI=1S/C7H14F2N2/c1-5(7(8)9)11-3-2-6(11)4-10/h5-7H,2-4,10H2,1H3
InChIKeyISMFMQNUGZPOMA-UHFFFAOYSA-N
XLogP0.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(1,1-difluoropropan-2-yl)azetidin-2-yl]methanamine?
The IUPAC name of [1-(1,1-difluoropropan-2-yl)azetidin-2-yl]methanamine (CID 164644701) is [1-(1,1-difluoropropan-2-yl)azetidin-2-yl]methanamine.
What is the SMILES notation for [1-(1,1-difluoropropan-2-yl)azetidin-2-yl]methanamine?
The canonical SMILES for [1-(1,1-difluoropropan-2-yl)azetidin-2-yl]methanamine is CC(C(F)F)N1CCC1CN.
What is the InChIKey of [1-(1,1-difluoropropan-2-yl)azetidin-2-yl]methanamine?
The InChIKey is ISMFMQNUGZPOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-5(7(8)9)11-3-2-6(11)4-10/h5-7H,2-4,10H2,1H3.
What are the key properties of [1-(1,1-difluoropropan-2-yl)azetidin-2-yl]methanamine?
[1-(1,1-difluoropropan-2-yl)azetidin-2-yl]methanamine has a molecular weight of 164.20 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-difluoropropan-2-yl)azetidin-2-yl]methanamine is sourced from PubChem (CID 164644701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).