N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine

C12H15F4NO — CID 80604477

IUPACN-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine
SMILESCCCNC(c1ccccc1OC(F)F)C(F)F
InChIInChI=1S/C12H15F4NO/c1-2-7-17-10(11(13)14)8-5-3-4-6-9(8)18-12(15)16/h3-6,10-12,17H,2,7H2,1H3
InChIKeyGKZDEZRUIGMGED-UHFFFAOYSA-N
MW265.25 g/mol
LogP3.59
Rot. Bonds7

About N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine

N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine (PubChem CID 80604477) has the molecular formula C12H15F4NO and a molecular weight of 265.25 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine
PubChem CID80604477
Molecular FormulaC12H15F4NO
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine
SMILESCCCNC(c1ccccc1OC(F)F)C(F)F
InChIInChI=1S/C12H15F4NO/c1-2-7-17-10(11(13)14)8-5-3-4-6-9(8)18-12(15)16/h3-6,10-12,17H,2,7H2,1H3
InChIKeyGKZDEZRUIGMGED-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine
CID 115837596
1-[2-(difluoromethoxy)phenyl]-N-propylbut-3-yn-1-amine
CID 114977832
N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115847444
N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 80528847
N-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015291
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
N-[2,2-dimethoxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79493375
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine
CID 61169297
1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine
CID 115837696
2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine
CID 116717283
N-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine
CID 104988207

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine (CID 80604477) is N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine is CCCNC(c1ccccc1OC(F)F)C(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine?
The InChIKey is GKZDEZRUIGMGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO/c1-2-7-17-10(11(13)14)8-5-3-4-6-9(8)18-12(15)16/h3-6,10-12,17H,2,7H2,1H3.
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine?
N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine has a molecular weight of 265.25 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine is sourced from PubChem (CID 80604477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).