ethane;fluoromethane;methyl N-[(2S)-1-oxobutan-2-yl]carbamate

C9H20FNO3 — CID 144903743

IUPACethane;fluoromethane;methyl N-[(2S)-1-oxobutan-2-yl]carbamate
SMILESCC.CC[C@@H](C=O)NC(=O)OC.CF
InChIInChI=1S/C6H11NO3.C2H6.CH3F/c1-3-5(4-8)7-6(9)10-2;2*1-2/h4-5H,3H2,1-2H3,(H,7,9);1-2H3;1H3/t5-;;/m0../s1
InChIKeyDFDBCOTZGJCVBZ-XRIGFGBMSA-N
MW209.26 g/mol
LogP1.93
Rot. Bonds3

About ethane;fluoromethane;methyl N-[(2S)-1-oxobutan-2-yl]carbamate

ethane;fluoromethane;methyl N-[(2S)-1-oxobutan-2-yl]carbamate (PubChem CID 144903743) has the molecular formula C9H20FNO3 and a molecular weight of 209.26 g/mol. Its IUPAC name is ethane;fluoromethane;methyl N-[(2S)-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nameethane;fluoromethane;methyl N-[(2S)-1-oxobutan-2-yl]carbamate
PubChem CID144903743
Molecular FormulaC9H20FNO3
Molecular Weight209.26 g/mol
Exact Mass209.14
IUPAC Nameethane;fluoromethane;methyl N-[(2S)-1-oxobutan-2-yl]carbamate
SMILESCC.CC[C@@H](C=O)NC(=O)OC.CF
InChIInChI=1S/C6H11NO3.C2H6.CH3F/c1-3-5(4-8)7-6(9)10-2;2*1-2/h4-5H,3H2,1-2H3,(H,7,9);1-2H3;1H3/t5-;;/m0../s1
InChIKeyDFDBCOTZGJCVBZ-XRIGFGBMSA-N
XLogP1.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-oxobutan-2-yl]acetamide
CID 55299338
methyl N-(1,5-dioxooct-6-en-2-yl)carbamate
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(2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide
CID 123756071
methyl N-[(E,6S)-6-tri(propan-2-yl)silyloxyhept-4-en-3-yl]carbamate
CID 10904030
tert-butyl N-[(2S)-1-oxopentan-2-yl]carbamate
CID 10262225
ethyl N-[(E)-hex-4-en-3-yl]carbamate
CID 11030282
butyl N-[(2S)-1-hydroxy-3-oxopropan-2-yl]carbamate
CID 174370782
methyl N-[1-(methoxycarbonylamino)butyl]carbamate
CID 174942846
methyl N-[(2S)-1-hydroxybut-3-en-2-yl]carbamate
CID 55299333
methyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate
CID 123473342
tert-butyl N-[(E,3S)-hex-4-en-3-yl]carbamate
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tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate
CID 45091925

Frequently Asked Questions

What is the IUPAC name of ethane;fluoromethane;methyl N-[(2S)-1-oxobutan-2-yl]carbamate?
The IUPAC name of ethane;fluoromethane;methyl N-[(2S)-1-oxobutan-2-yl]carbamate (CID 144903743) is ethane;fluoromethane;methyl N-[(2S)-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for ethane;fluoromethane;methyl N-[(2S)-1-oxobutan-2-yl]carbamate?
The canonical SMILES for ethane;fluoromethane;methyl N-[(2S)-1-oxobutan-2-yl]carbamate is CC.CC[C@@H](C=O)NC(=O)OC.CF.
What is the InChIKey of ethane;fluoromethane;methyl N-[(2S)-1-oxobutan-2-yl]carbamate?
The InChIKey is DFDBCOTZGJCVBZ-XRIGFGBMSA-N. The full InChI is InChI=1S/C6H11NO3.C2H6.CH3F/c1-3-5(4-8)7-6(9)10-2;2*1-2/h4-5H,3H2,1-2H3,(H,7,9);1-2H3;1H3/t5-;;/m0../s1.
What are the key properties of ethane;fluoromethane;methyl N-[(2S)-1-oxobutan-2-yl]carbamate?
ethane;fluoromethane;methyl N-[(2S)-1-oxobutan-2-yl]carbamate has a molecular weight of 209.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;fluoromethane;methyl N-[(2S)-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 144903743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).