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

C11H21F2NO — CID 80605526

IUPAC4-(difluoromethyl)-2-ethyl-N-propyloxan-4-amine
SMILESCCCNC1(C(F)F)CCOC(CC)C1
InChIInChI=1S/C11H21F2NO/c1-3-6-14-11(10(12)13)5-7-15-9(4-2)8-11/h9-10,14H,3-8H2,1-2H3
InChIKeyXQVXIYOKTXQEPV-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.58
Rot. Bonds5

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

4-(difluoromethyl)-2-ethyl-N-propyloxan-4-amine (PubChem CID 80605526) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-ethyl-N-propyloxan-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-ethyl-N-propyloxan-4-amine
PubChem CID80605526
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name4-(difluoromethyl)-2-ethyl-N-propyloxan-4-amine
SMILESCCCNC1(C(F)F)CCOC(CC)C1
InChIInChI=1S/C11H21F2NO/c1-3-6-14-11(10(12)13)5-7-15-9(4-2)8-11/h9-10,14H,3-8H2,1-2H3
InChIKeyXQVXIYOKTXQEPV-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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Related Compounds

4-(difluoromethyl)-2-ethyloxan-4-amine
CID 80605249
4-(difluoromethyl)-N-propyloxepan-4-amine
CID 80606016
1-(difluoromethyl)-N-propylcycloheptan-1-amine
CID 80604942
4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine
CID 80605882
3-(difluoromethyl)-1-propan-2-yl-N-propylpyrrolidin-3-amine
CID 80605774
4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine
CID 115406424
2-[2-ethyl-4-(ethylamino)oxan-4-yl]acetamide
CID 65234241
methyl 4-(2-azidoethylamino)-2-ethyloxane-4-carboxylate
CID 66189817
4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine
CID 114616093
2-(difluoromethyl)-N-propyl-1,3-dihydroinden-2-amine
CID 80604950
3-(difluoromethyl)-N-ethyloxolan-3-amine
CID 80604448
4-(aminomethyl)-N-benzyl-2-ethyloxan-4-amine
CID 65384007

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-ethyl-N-propyloxan-4-amine?
The IUPAC name of 4-(difluoromethyl)-2-ethyl-N-propyloxan-4-amine (CID 80605526) is 4-(difluoromethyl)-2-ethyl-N-propyloxan-4-amine.
What is the SMILES notation for 4-(difluoromethyl)-2-ethyl-N-propyloxan-4-amine?
The canonical SMILES for 4-(difluoromethyl)-2-ethyl-N-propyloxan-4-amine is CCCNC1(C(F)F)CCOC(CC)C1.
What is the InChIKey of 4-(difluoromethyl)-2-ethyl-N-propyloxan-4-amine?
The InChIKey is XQVXIYOKTXQEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-3-6-14-11(10(12)13)5-7-15-9(4-2)8-11/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-2-ethyl-N-propyloxan-4-amine?
4-(difluoromethyl)-2-ethyl-N-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)-2-ethyl-N-propyloxan-4-amine is sourced from PubChem (CID 80605526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).