4-(difluoromethyl)-2-methyloxan-4-amine

C7H13F2NO — CID 80604189

IUPAC4-(difluoromethyl)-2-methyloxan-4-amine
SMILESCC1CC(N)(C(F)F)CCO1
InChIInChI=1S/C7H13F2NO/c1-5-4-7(10,6(8)9)2-3-11-5/h5-6H,2-4,10H2,1H3
InChIKeyBCDXFQIXVZGELS-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.15
Rot. Bonds1

About 4-(difluoromethyl)-2-methyloxan-4-amine

4-(difluoromethyl)-2-methyloxan-4-amine (PubChem CID 80604189) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-methyloxan-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-methyloxan-4-amine
PubChem CID80604189
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name4-(difluoromethyl)-2-methyloxan-4-amine
SMILESCC1CC(N)(C(F)F)CCO1
InChIInChI=1S/C7H13F2NO/c1-5-4-7(10,6(8)9)2-3-11-5/h5-6H,2-4,10H2,1H3
InChIKeyBCDXFQIXVZGELS-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-methyloxan-4-amine?
The IUPAC name of 4-(difluoromethyl)-2-methyloxan-4-amine (CID 80604189) is 4-(difluoromethyl)-2-methyloxan-4-amine.
What is the SMILES notation for 4-(difluoromethyl)-2-methyloxan-4-amine?
The canonical SMILES for 4-(difluoromethyl)-2-methyloxan-4-amine is CC1CC(N)(C(F)F)CCO1.
What is the InChIKey of 4-(difluoromethyl)-2-methyloxan-4-amine?
The InChIKey is BCDXFQIXVZGELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-5-4-7(10,6(8)9)2-3-11-5/h5-6H,2-4,10H2,1H3.
What are the key properties of 4-(difluoromethyl)-2-methyloxan-4-amine?
4-(difluoromethyl)-2-methyloxan-4-amine has a molecular weight of 165.18 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-methyloxan-4-amine is sourced from PubChem (CID 80604189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).