N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine

C12H15F4NO — CID 102977961

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine
SMILESCC(NCCOCC(F)F)c1cc(F)ccc1F
InChIInChI=1S/C12H15F4NO/c1-8(17-4-5-18-7-12(15)16)10-6-9(13)2-3-11(10)14/h2-3,6,8,12,17H,4-5,7H2,1H3
InChIKeyOVZHYNCRFUGWJY-UHFFFAOYSA-N
MW265.25 g/mol
LogP2.90
Rot. Bonds7

About N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine

N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine (PubChem CID 102977961) has the molecular formula C12H15F4NO and a molecular weight of 265.25 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine
PubChem CID102977961
Molecular FormulaC12H15F4NO
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine
SMILESCC(NCCOCC(F)F)c1cc(F)ccc1F
InChIInChI=1S/C12H15F4NO/c1-8(17-4-5-18-7-12(15)16)10-6-9(13)2-3-11(10)14/h2-3,6,8,12,17H,4-5,7H2,1H3
InChIKeyOVZHYNCRFUGWJY-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 55176100
3-(cyclopropylmethoxy)-N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 43206774
1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 63983699
4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol
CID 64912368
N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102977960
N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine
CID 115325076
N-[2-(2,2-difluoroethoxy)ethyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 102978048
N-[1-(2,5-difluorophenyl)ethyl]pent-3-yn-1-amine
CID 104758066
4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol
CID 97050882
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 43177273
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine (CID 102977961) is N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine is CC(NCCOCC(F)F)c1cc(F)ccc1F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine?
The InChIKey is OVZHYNCRFUGWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO/c1-8(17-4-5-18-7-12(15)16)10-6-9(13)2-3-11(10)14/h2-3,6,8,12,17H,4-5,7H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine?
N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine has a molecular weight of 265.25 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine is sourced from PubChem (CID 102977961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).