ethane;2-(2,2,2-trifluoroethoxy)ethanamine

C6H14F3NO — CID 143697781

IUPACethane;2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC.NCCOCC(F)(F)F
InChIInChI=1S/C4H8F3NO.C2H6/c5-4(6,7)3-9-2-1-8;1-2/h1-3,8H2;1-2H3
InChIKeyAVMMDILUJVOUHH-UHFFFAOYSA-N
MW173.18 g/mol
LogP1.55
Rot. Bonds3

About ethane;2-(2,2,2-trifluoroethoxy)ethanamine

ethane;2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 143697781) has the molecular formula C6H14F3NO and a molecular weight of 173.18 g/mol. Its IUPAC name is ethane;2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Nameethane;2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID143697781
Molecular FormulaC6H14F3NO
Molecular Weight173.18 g/mol
Exact Mass173.10
IUPAC Nameethane;2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC.NCCOCC(F)(F)F
InChIInChI=1S/C4H8F3NO.C2H6/c5-4(6,7)3-9-2-1-8;1-2/h1-3,8H2;1-2H3
InChIKeyAVMMDILUJVOUHH-UHFFFAOYSA-N
XLogP1.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 51.55
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

Ethoxyethylamine
CID 66970
2-(2,2,2-Trifluoroethoxy)ethanamine
CID 2060297
3,3,3-Trifluoro-2-methoxypropan-1-amine hydrochloride
CID 54593160
2-(2,2-Difluoroethoxy)ethan-1-amine hydrochloride
CID 75525737
2-(Difluoromethoxy)ethan-1-amine
CID 84715994
2-(Difluoromethoxy)propan-1-amine
CID 84716057
(2S)-1-(trifluoromethoxy)propan-2-amine hydrochloride
CID 121000302
2-(Difluoromethoxy)ethan-1-amine hydrochloride
CID 122446091
(2R)-1-(difluoromethoxy)propan-2-amine hydrochloride
CID 122446094
(2S)-1-(difluoromethoxy)propan-2-amine hydrochloride
CID 122446099
1-(Trifluoromethoxy)propan-2-amine hydrochloride
CID 135354874
1,1,1-Trifluoro-3-methoxypropan-2-amine hydrochloride
CID 137838509

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of ethane;2-(2,2,2-trifluoroethoxy)ethanamine (CID 143697781) is ethane;2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for ethane;2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for ethane;2-(2,2,2-trifluoroethoxy)ethanamine is CC.NCCOCC(F)(F)F.
What is the InChIKey of ethane;2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is AVMMDILUJVOUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO.C2H6/c5-4(6,7)3-9-2-1-8;1-2/h1-3,8H2;1-2H3.
What are the key properties of ethane;2-(2,2,2-trifluoroethoxy)ethanamine?
ethane;2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 173.18 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 143697781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).