3-(difluoromethoxy)pentan-1-amine

C6H13F2NO — CID 84716511

IUPAC3-(difluoromethoxy)pentan-1-amine
SMILESCCC(CCN)OC(F)F
InChIInChI=1S/C6H13F2NO/c1-2-5(3-4-9)10-6(7)8/h5-6H,2-4,9H2,1H3
InChIKeyRPHPDKOUPQRZTR-UHFFFAOYSA-N
MW153.17 g/mol
LogP1.35
Rot. Bonds5

About 3-(difluoromethoxy)pentan-1-amine

3-(difluoromethoxy)pentan-1-amine (PubChem CID 84716511) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 3-(difluoromethoxy)pentan-1-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)pentan-1-amine
PubChem CID84716511
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name3-(difluoromethoxy)pentan-1-amine
SMILESCCC(CCN)OC(F)F
InChIInChI=1S/C6H13F2NO/c1-2-5(3-4-9)10-6(7)8/h5-6H,2-4,9H2,1H3
InChIKeyRPHPDKOUPQRZTR-UHFFFAOYSA-N
XLogP1.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)pentan-1-amine?
The IUPAC name of 3-(difluoromethoxy)pentan-1-amine (CID 84716511) is 3-(difluoromethoxy)pentan-1-amine.
What is the SMILES notation for 3-(difluoromethoxy)pentan-1-amine?
The canonical SMILES for 3-(difluoromethoxy)pentan-1-amine is CCC(CCN)OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)pentan-1-amine?
The InChIKey is RPHPDKOUPQRZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-2-5(3-4-9)10-6(7)8/h5-6H,2-4,9H2,1H3.
What are the key properties of 3-(difluoromethoxy)pentan-1-amine?
3-(difluoromethoxy)pentan-1-amine has a molecular weight of 153.17 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)pentan-1-amine is sourced from PubChem (CID 84716511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).