ethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide

C9H20F3NO2 — CID 157037411

IUPACethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide
SMILESCC.CC.CC(=O)NC(CO)C(F)(F)F
InChIInChI=1S/C5H8F3NO2.2C2H6/c1-3(11)9-4(2-10)5(6,7)8;2*1-2/h4,10H,2H2,1H3,(H,9,11);2*1-2H3
InChIKeyMNLZFEWGFFYZAV-UHFFFAOYSA-N
MW231.26 g/mol
LogP2.10
Rot. Bonds2

About ethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide

ethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide (PubChem CID 157037411) has the molecular formula C9H20F3NO2 and a molecular weight of 231.26 g/mol. Its IUPAC name is ethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide.

Molecular Properties

Compound Nameethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide
PubChem CID157037411
Molecular FormulaC9H20F3NO2
Molecular Weight231.26 g/mol
Exact Mass231.14
IUPAC Nameethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide
SMILESCC.CC.CC(=O)NC(CO)C(F)(F)F
InChIInChI=1S/C5H8F3NO2.2C2H6/c1-3(11)9-4(2-10)5(6,7)8;2*1-2/h4,10H,2H2,1H3,(H,9,11);2*1-2H3
InChIKeyMNLZFEWGFFYZAV-UHFFFAOYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide
CID 121358026
N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide
CID 121358022
N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 58879224
N-[3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide
CID 135065921
2-(ethylamino)-3,3,3-trifluoropropan-1-ol
CID 83815516
N-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide
CID 102171914
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide
CID 22405555
N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide
CID 90242919
N-(2-hydroxy-1-sulfanylethyl)acetamide
CID 147296695
3,3,3-trifluoro-2-(2-hydroxyethylamino)propan-1-ol
CID 138511068
5-acetamido-3-ethoxycarbothioylsulfanyl-6,6,6-trifluorohexanoic acid
CID 87529284

Frequently Asked Questions

What is the IUPAC name of ethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide?
The IUPAC name of ethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide (CID 157037411) is ethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide.
What is the SMILES notation for ethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide?
The canonical SMILES for ethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide is CC.CC.CC(=O)NC(CO)C(F)(F)F.
What is the InChIKey of ethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide?
The InChIKey is MNLZFEWGFFYZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2.2C2H6/c1-3(11)9-4(2-10)5(6,7)8;2*1-2/h4,10H,2H2,1H3,(H,9,11);2*1-2H3.
What are the key properties of ethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide?
ethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide has a molecular weight of 231.26 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide is sourced from PubChem (CID 157037411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).