N-(1,1-difluoropropan-2-yl)-1,1-dimethoxypropan-2-amine

C8H17F2NO2 — CID 102869609

IUPACN-(1,1-difluoropropan-2-yl)-1,1-dimethoxypropan-2-amine
SMILESCOC(OC)C(C)NC(C)C(F)F
InChIInChI=1S/C8H17F2NO2/c1-5(7(9)10)11-6(2)8(12-3)13-4/h5-8,11H,1-4H3
InChIKeyHKEZIGSUXRNIPW-UHFFFAOYSA-N
MW197.22 g/mol
LogP1.24
Rot. Bonds6

About N-(1,1-difluoropropan-2-yl)-1,1-dimethoxypropan-2-amine

N-(1,1-difluoropropan-2-yl)-1,1-dimethoxypropan-2-amine (PubChem CID 102869609) has the molecular formula C8H17F2NO2 and a molecular weight of 197.22 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-1,1-dimethoxypropan-2-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-1,1-dimethoxypropan-2-amine
PubChem CID102869609
Molecular FormulaC8H17F2NO2
Molecular Weight197.22 g/mol
Exact Mass197.12
IUPAC NameN-(1,1-difluoropropan-2-yl)-1,1-dimethoxypropan-2-amine
SMILESCOC(OC)C(C)NC(C)C(F)F
InChIInChI=1S/C8H17F2NO2/c1-5(7(9)10)11-6(2)8(12-3)13-4/h5-8,11H,1-4H3
InChIKeyHKEZIGSUXRNIPW-UHFFFAOYSA-N
XLogP1.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-1,1-dimethoxypropan-2-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-1,1-dimethoxypropan-2-amine (CID 102869609) is N-(1,1-difluoropropan-2-yl)-1,1-dimethoxypropan-2-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-1,1-dimethoxypropan-2-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-1,1-dimethoxypropan-2-amine is COC(OC)C(C)NC(C)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-1,1-dimethoxypropan-2-amine?
The InChIKey is HKEZIGSUXRNIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO2/c1-5(7(9)10)11-6(2)8(12-3)13-4/h5-8,11H,1-4H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-1,1-dimethoxypropan-2-amine?
N-(1,1-difluoropropan-2-yl)-1,1-dimethoxypropan-2-amine has a molecular weight of 197.22 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-1,1-dimethoxypropan-2-amine is sourced from PubChem (CID 102869609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).