1-(difluoromethoxy)propan-2-amine

C4H9F2NO — CID 84716054

IUPAC1-(difluoromethoxy)propan-2-amine
SMILESCC(N)COC(F)F
InChIInChI=1S/C4H9F2NO/c1-3(7)2-8-4(5)6/h3-4H,2,7H2,1H3
InChIKeyVSZAEVLSIWLMOL-UHFFFAOYSA-N
MW125.12 g/mol
LogP0.57
Rot. Bonds3

About 1-(difluoromethoxy)propan-2-amine

1-(difluoromethoxy)propan-2-amine (PubChem CID 84716054) has the molecular formula C4H9F2NO and a molecular weight of 125.12 g/mol. Its IUPAC name is 1-(difluoromethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(difluoromethoxy)propan-2-amine
PubChem CID84716054
Molecular FormulaC4H9F2NO
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Name1-(difluoromethoxy)propan-2-amine
SMILESCC(N)COC(F)F
InChIInChI=1S/C4H9F2NO/c1-3(7)2-8-4(5)6/h3-4H,2,7H2,1H3
InChIKeyVSZAEVLSIWLMOL-UHFFFAOYSA-N
XLogP0.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)propan-2-amine?
The IUPAC name of 1-(difluoromethoxy)propan-2-amine (CID 84716054) is 1-(difluoromethoxy)propan-2-amine.
What is the SMILES notation for 1-(difluoromethoxy)propan-2-amine?
The canonical SMILES for 1-(difluoromethoxy)propan-2-amine is CC(N)COC(F)F.
What is the InChIKey of 1-(difluoromethoxy)propan-2-amine?
The InChIKey is VSZAEVLSIWLMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO/c1-3(7)2-8-4(5)6/h3-4H,2,7H2,1H3.
What are the key properties of 1-(difluoromethoxy)propan-2-amine?
1-(difluoromethoxy)propan-2-amine has a molecular weight of 125.12 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)propan-2-amine is sourced from PubChem (CID 84716054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).