ethane;methanol;2,2,2-trifluoroethanamine

C5H14F3NO — CID 144589365

IUPACethane;methanol;2,2,2-trifluoroethanamine
SMILESCC.CO.NCC(F)(F)F
InChIInChI=1S/C2H4F3N.C2H6.CH4O/c3-2(4,5)1-6;2*1-2/h1,6H2;1-2H3;2H,1H3
InChIKeyASEOEQNTFQZHND-UHFFFAOYSA-N
MW161.17 g/mol
LogP1.14
Rot. Bonds

About ethane;methanol;2,2,2-trifluoroethanamine

ethane;methanol;2,2,2-trifluoroethanamine (PubChem CID 144589365) has the molecular formula C5H14F3NO and a molecular weight of 161.17 g/mol. Its IUPAC name is ethane;methanol;2,2,2-trifluoroethanamine.

Molecular Properties

Compound Nameethane;methanol;2,2,2-trifluoroethanamine
PubChem CID144589365
Molecular FormulaC5H14F3NO
Molecular Weight161.17 g/mol
Exact Mass161.10
IUPAC Nameethane;methanol;2,2,2-trifluoroethanamine
SMILESCC.CO.NCC(F)(F)F
InChIInChI=1S/C2H4F3N.C2H6.CH4O/c3-2(4,5)1-6;2*1-2/h1,6H2;1-2H3;2H,1H3
InChIKeyASEOEQNTFQZHND-UHFFFAOYSA-N
XLogP1.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methyl-2-(trifluoromethyl)propane-1,3-diamine;platinum
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2-fluoro-2,3-dimethylbut-3-en-1-amine
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2,2-difluoropropane-1,3-diamine;hydrochloride
CID 19902651
2,2-difluoro-3-methylbutan-1-amine
CID 22002026
2,2-bis(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 59339468
4,5-diamino-2,2,4-trimethylpentan-1-ol
CID 57016667
N',N'-diethyl-2,2-difluoropropane-1,3-diamine
CID 84652406
1-amino-2,2-difluoro-4,4-dimethylpentan-3-ol
CID 105433378

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;2,2,2-trifluoroethanamine?
The IUPAC name of ethane;methanol;2,2,2-trifluoroethanamine (CID 144589365) is ethane;methanol;2,2,2-trifluoroethanamine.
What is the SMILES notation for ethane;methanol;2,2,2-trifluoroethanamine?
The canonical SMILES for ethane;methanol;2,2,2-trifluoroethanamine is CC.CO.NCC(F)(F)F.
What is the InChIKey of ethane;methanol;2,2,2-trifluoroethanamine?
The InChIKey is ASEOEQNTFQZHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F3N.C2H6.CH4O/c3-2(4,5)1-6;2*1-2/h1,6H2;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;2,2,2-trifluoroethanamine?
ethane;methanol;2,2,2-trifluoroethanamine has a molecular weight of 161.17 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;2,2,2-trifluoroethanamine is sourced from PubChem (CID 144589365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).