4-(difluoromethyl)-N-ethyl-2-propyloxan-4-amine

C11H21F2NO — CID 80605517

IUPAC4-(difluoromethyl)-N-ethyl-2-propyloxan-4-amine
SMILESCCCC1CC(NCC)(C(F)F)CCO1
InChIInChI=1S/C11H21F2NO/c1-3-5-9-8-11(10(12)13,14-4-2)6-7-15-9/h9-10,14H,3-8H2,1-2H3
InChIKeyHUAFRLLYRVFTCQ-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.58
Rot. Bonds5

About 4-(difluoromethyl)-N-ethyl-2-propyloxan-4-amine

4-(difluoromethyl)-N-ethyl-2-propyloxan-4-amine (PubChem CID 80605517) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-ethyl-2-propyloxan-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-N-ethyl-2-propyloxan-4-amine
PubChem CID80605517
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name4-(difluoromethyl)-N-ethyl-2-propyloxan-4-amine
SMILESCCCC1CC(NCC)(C(F)F)CCO1
InChIInChI=1S/C11H21F2NO/c1-3-5-9-8-11(10(12)13,14-4-2)6-7-15-9/h9-10,14H,3-8H2,1-2H3
InChIKeyHUAFRLLYRVFTCQ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-ethyl-2-propyloxan-4-amine?
The IUPAC name of 4-(difluoromethyl)-N-ethyl-2-propyloxan-4-amine (CID 80605517) is 4-(difluoromethyl)-N-ethyl-2-propyloxan-4-amine.
What is the SMILES notation for 4-(difluoromethyl)-N-ethyl-2-propyloxan-4-amine?
The canonical SMILES for 4-(difluoromethyl)-N-ethyl-2-propyloxan-4-amine is CCCC1CC(NCC)(C(F)F)CCO1.
What is the InChIKey of 4-(difluoromethyl)-N-ethyl-2-propyloxan-4-amine?
The InChIKey is HUAFRLLYRVFTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-3-5-9-8-11(10(12)13,14-4-2)6-7-15-9/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-N-ethyl-2-propyloxan-4-amine?
4-(difluoromethyl)-N-ethyl-2-propyloxan-4-amine has a molecular weight of 221.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-ethyl-2-propyloxan-4-amine is sourced from PubChem (CID 80605517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).