N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine

C11H13F4NO — CID 113303620

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
SMILESCC(NCC(F)F)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H13F4NO/c1-7(16-6-10(12)13)8-3-2-4-9(5-8)17-11(14)15/h2-5,7,10-11,16H,6H2,1H3
InChIKeyGNWGXUPEKLVRNJ-UHFFFAOYSA-N
MW251.22 g/mol
LogP3.20
Rot. Bonds6

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine (PubChem CID 113303620) has the molecular formula C11H13F4NO and a molecular weight of 251.22 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
PubChem CID113303620
Molecular FormulaC11H13F4NO
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
SMILESCC(NCC(F)F)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H13F4NO/c1-7(16-6-10(12)13)8-3-2-4-9(5-8)17-11(14)15/h2-5,7,10-11,16H,6H2,1H3
InChIKeyGNWGXUPEKLVRNJ-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43095815
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-4-methylpentan-2-ol
CID 103779713
N-[1-[3-(difluoromethoxy)phenyl]ethyl]prop-2-en-1-amine
CID 43200528
1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590715
2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-(2-methylpropyl)acetamide
CID 115900197
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 55097413
6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol
CID 103913178
3-[1-(2,2-difluoroethylamino)ethyl]phenol
CID 115405831
1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43203420
1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 112815867
3-butoxy-N-[1-[3-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115704413

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine (CID 113303620) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine is CC(NCC(F)F)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine?
The InChIKey is GNWGXUPEKLVRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO/c1-7(16-6-10(12)13)8-3-2-4-9(5-8)17-11(14)15/h2-5,7,10-11,16H,6H2,1H3.
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine has a molecular weight of 251.22 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine is sourced from PubChem (CID 113303620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).