3-(difluoromethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine

C9H19F2NO — CID 129108301

IUPAC3-(difluoromethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine
SMILESCC(COC(F)F)CN(C)C(C)C
InChIInChI=1S/C9H19F2NO/c1-7(2)12(4)5-8(3)6-13-9(10)11/h7-9H,5-6H2,1-4H3
InChIKeyIENFMIQCHWIAEU-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.20
Rot. Bonds6

About 3-(difluoromethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine

3-(difluoromethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine (PubChem CID 129108301) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine
PubChem CID129108301
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name3-(difluoromethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine
SMILESCC(COC(F)F)CN(C)C(C)C
InChIInChI=1S/C9H19F2NO/c1-7(2)12(4)5-8(3)6-13-9(10)11/h7-9H,5-6H2,1-4H3
InChIKeyIENFMIQCHWIAEU-UHFFFAOYSA-N
XLogP2.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(difluoromethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine (CID 129108301) is 3-(difluoromethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(difluoromethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(difluoromethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine is CC(COC(F)F)CN(C)C(C)C.
What is the InChIKey of 3-(difluoromethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine?
The InChIKey is IENFMIQCHWIAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-7(2)12(4)5-8(3)6-13-9(10)11/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-(difluoromethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine?
3-(difluoromethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine has a molecular weight of 195.25 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 129108301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).