4-(difluoromethyl)-N,2-dipropyloxan-4-amine

C12H23F2NO — CID 80604230

IUPAC4-(difluoromethyl)-N,2-dipropyloxan-4-amine
SMILESCCCNC1(C(F)F)CCOC(CCC)C1
InChIInChI=1S/C12H23F2NO/c1-3-5-10-9-12(11(13)14,6-8-16-10)15-7-4-2/h10-11,15H,3-9H2,1-2H3
InChIKeyGQPIXRVEOUQQPM-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.97
Rot. Bonds6

About 4-(difluoromethyl)-N,2-dipropyloxan-4-amine

4-(difluoromethyl)-N,2-dipropyloxan-4-amine (PubChem CID 80604230) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 4-(difluoromethyl)-N,2-dipropyloxan-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-N,2-dipropyloxan-4-amine
PubChem CID80604230
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name4-(difluoromethyl)-N,2-dipropyloxan-4-amine
SMILESCCCNC1(C(F)F)CCOC(CCC)C1
InChIInChI=1S/C12H23F2NO/c1-3-5-10-9-12(11(13)14,6-8-16-10)15-7-4-2/h10-11,15H,3-9H2,1-2H3
InChIKeyGQPIXRVEOUQQPM-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 121523407
3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 129276996
4-[5-(2,2,2-Trifluoroethoxy)pentyl]piperidine
CID 142825207
N-butyl-5,5-difluoro-6-methoxy-4,7-dimethyloctan-1-amine
CID 146228722
N-[3,3-difluoro-5-(5-methyldodecan-5-yloxy)pentyl]-5-methyldodecan-5-amine
CID 156046168
2-[2-[(4,4-difluorocyclohexyl)amino]propyl]-N-methyl-4-(trifluoromethyl)oxan-4-amine
CID 169587954
4-(Difluoromethoxy)-2-propan-2-ylpiperidine
CID 170772139
1-(5,5-difluoro-6-propan-2-yloxan-2-yl)-N-methylmethanamine
CID 178984973
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095373
6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095421
N-tert-butyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 62530713
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine
CID 62724587

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N,2-dipropyloxan-4-amine?
The IUPAC name of 4-(difluoromethyl)-N,2-dipropyloxan-4-amine (CID 80604230) is 4-(difluoromethyl)-N,2-dipropyloxan-4-amine.
What is the SMILES notation for 4-(difluoromethyl)-N,2-dipropyloxan-4-amine?
The canonical SMILES for 4-(difluoromethyl)-N,2-dipropyloxan-4-amine is CCCNC1(C(F)F)CCOC(CCC)C1.
What is the InChIKey of 4-(difluoromethyl)-N,2-dipropyloxan-4-amine?
The InChIKey is GQPIXRVEOUQQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-3-5-10-9-12(11(13)14,6-8-16-10)15-7-4-2/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-N,2-dipropyloxan-4-amine?
4-(difluoromethyl)-N,2-dipropyloxan-4-amine has a molecular weight of 235.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N,2-dipropyloxan-4-amine is sourced from PubChem (CID 80604230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).