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

C9H20F3NO2 — CID 157037330

IUPACethane;N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide
SMILESCC.CC.CC(=O)N[C@H](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/t4-;;/m1../s1
InChIKeyMNLZFEWGFFYZAV-RZFWHQLPSA-N
MW231.26 g/mol
LogP2.10
Rot. Bonds2

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

ethane;N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide (PubChem CID 157037330) has the molecular formula C9H20F3NO2 and a molecular weight of 231.26 g/mol. Its IUPAC name is ethane;N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound Nameethane;N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide
PubChem CID157037330
Molecular FormulaC9H20F3NO2
Molecular Weight231.26 g/mol
Exact Mass231.14
IUPAC Nameethane;N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide
SMILESCC.CC.CC(=O)N[C@H](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/t4-;;/m1../s1
InChIKeyMNLZFEWGFFYZAV-RZFWHQLPSA-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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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide?
The IUPAC name of ethane;N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide (CID 157037330) is ethane;N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for ethane;N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide?
The canonical SMILES for ethane;N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide is CC.CC.CC(=O)N[C@H](CO)C(F)(F)F.
What is the InChIKey of ethane;N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide?
The InChIKey is MNLZFEWGFFYZAV-RZFWHQLPSA-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/t4-;;/m1../s1.
What are the key properties of ethane;N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide?
ethane;N-[(2R)-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-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 157037330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).