4-(difluoromethyl)oxan-4-amine

C6H11F2NO — CID 80604421

IUPAC4-(difluoromethyl)oxan-4-amine
SMILESNC1(C(F)F)CCOCC1
InChIInChI=1S/C6H11F2NO/c7-5(8)6(9)1-3-10-4-2-6/h5H,1-4,9H2
InChIKeyGGVLUEZGBJWERZ-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.76
Rot. Bonds1

About 4-(difluoromethyl)oxan-4-amine

4-(difluoromethyl)oxan-4-amine (PubChem CID 80604421) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 4-(difluoromethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)oxan-4-amine
PubChem CID80604421
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name4-(difluoromethyl)oxan-4-amine
SMILESNC1(C(F)F)CCOCC1
InChIInChI=1S/C6H11F2NO/c7-5(8)6(9)1-3-10-4-2-6/h5H,1-4,9H2
InChIKeyGGVLUEZGBJWERZ-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)oxan-4-amine?
The IUPAC name of 4-(difluoromethyl)oxan-4-amine (CID 80604421) is 4-(difluoromethyl)oxan-4-amine.
What is the SMILES notation for 4-(difluoromethyl)oxan-4-amine?
The canonical SMILES for 4-(difluoromethyl)oxan-4-amine is NC1(C(F)F)CCOCC1.
What is the InChIKey of 4-(difluoromethyl)oxan-4-amine?
The InChIKey is GGVLUEZGBJWERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-5(8)6(9)1-3-10-4-2-6/h5H,1-4,9H2.
What are the key properties of 4-(difluoromethyl)oxan-4-amine?
4-(difluoromethyl)oxan-4-amine has a molecular weight of 151.16 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)oxan-4-amine is sourced from PubChem (CID 80604421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).