N-(1,1-difluoropropan-2-yl)-2-methyloxolan-3-amine

C8H15F2NO — CID 102869944

IUPACN-(1,1-difluoropropan-2-yl)-2-methyloxolan-3-amine
SMILESCC(NC1CCOC1C)C(F)F
InChIInChI=1S/C8H15F2NO/c1-5(8(9)10)11-7-3-4-12-6(7)2/h5-8,11H,3-4H2,1-2H3
InChIKeyLBWQLVWNNVKTLX-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.41
Rot. Bonds3

About N-(1,1-difluoropropan-2-yl)-2-methyloxolan-3-amine

N-(1,1-difluoropropan-2-yl)-2-methyloxolan-3-amine (PubChem CID 102869944) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-2-methyloxolan-3-amine
PubChem CID102869944
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC NameN-(1,1-difluoropropan-2-yl)-2-methyloxolan-3-amine
SMILESCC(NC1CCOC1C)C(F)F
InChIInChI=1S/C8H15F2NO/c1-5(8(9)10)11-7-3-4-12-6(7)2/h5-8,11H,3-4H2,1-2H3
InChIKeyLBWQLVWNNVKTLX-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-2-methyloxolan-3-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-2-methyloxolan-3-amine (CID 102869944) is N-(1,1-difluoropropan-2-yl)-2-methyloxolan-3-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-2-methyloxolan-3-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-2-methyloxolan-3-amine is CC(NC1CCOC1C)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-2-methyloxolan-3-amine?
The InChIKey is LBWQLVWNNVKTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-5(8(9)10)11-7-3-4-12-6(7)2/h5-8,11H,3-4H2,1-2H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-2-methyloxolan-3-amine?
N-(1,1-difluoropropan-2-yl)-2-methyloxolan-3-amine has a molecular weight of 179.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-2-methyloxolan-3-amine is sourced from PubChem (CID 102869944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).