4-(difluoromethyl)-N-propyloxan-4-amine

C9H17F2NO — CID 80604823

IUPAC4-(difluoromethyl)-N-propyloxan-4-amine
SMILESCCCNC1(C(F)F)CCOCC1
InChIInChI=1S/C9H17F2NO/c1-2-5-12-9(8(10)11)3-6-13-7-4-9/h8,12H,2-7H2,1H3
InChIKeyDIKJJBJUAVOSAB-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.80
Rot. Bonds4

About 4-(difluoromethyl)-N-propyloxan-4-amine

4-(difluoromethyl)-N-propyloxan-4-amine (PubChem CID 80604823) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-propyloxan-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-N-propyloxan-4-amine
PubChem CID80604823
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4-(difluoromethyl)-N-propyloxan-4-amine
SMILESCCCNC1(C(F)F)CCOCC1
InChIInChI=1S/C9H17F2NO/c1-2-5-12-9(8(10)11)3-6-13-7-4-9/h8,12H,2-7H2,1H3
InChIKeyDIKJJBJUAVOSAB-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-propyloxan-4-amine?
The IUPAC name of 4-(difluoromethyl)-N-propyloxan-4-amine (CID 80604823) is 4-(difluoromethyl)-N-propyloxan-4-amine.
What is the SMILES notation for 4-(difluoromethyl)-N-propyloxan-4-amine?
The canonical SMILES for 4-(difluoromethyl)-N-propyloxan-4-amine is CCCNC1(C(F)F)CCOCC1.
What is the InChIKey of 4-(difluoromethyl)-N-propyloxan-4-amine?
The InChIKey is DIKJJBJUAVOSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-2-5-12-9(8(10)11)3-6-13-7-4-9/h8,12H,2-7H2,1H3.
What are the key properties of 4-(difluoromethyl)-N-propyloxan-4-amine?
4-(difluoromethyl)-N-propyloxan-4-amine has a molecular weight of 193.24 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-propyloxan-4-amine is sourced from PubChem (CID 80604823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).