1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl carbamate

C6H10F3NO2S — CID 151776554

IUPAC1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl carbamate
SMILESCC(CSCC(F)(F)F)OC(N)=O
InChIInChI=1S/C6H10F3NO2S/c1-4(12-5(10)11)2-13-3-6(7,8)9/h4H,2-3H2,1H3,(H2,10,11)
InChIKeyRTRVGVMYDHXZEI-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.77
Rot. Bonds4

About 1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl carbamate

1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl carbamate (PubChem CID 151776554) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl carbamate.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl carbamate
PubChem CID151776554
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC Name1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl carbamate
SMILESCC(CSCC(F)(F)F)OC(N)=O
InChIInChI=1S/C6H10F3NO2S/c1-4(12-5(10)11)2-13-3-6(7,8)9/h4H,2-3H2,1H3,(H2,10,11)
InChIKeyRTRVGVMYDHXZEI-UHFFFAOYSA-N
XLogP1.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2,2,2-trifluoroethylsulfanyl)propanamide;hydrochloride
CID 130236337
1-(2,2,2-trifluoroethylsulfanyl)propan-2-amine
CID 66219470
tert-butyl N-[(2R)-1-amino-1-oxo-3-(2,2,2-trifluoroethylsulfanyl)propan-2-yl]carbamate
CID 130261667
propan-2-yl carbamate;2,2,2-trifluoroacetic acid
CID 172725530
2-[(2R)-1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl]benzamide
CID 140746980
4,4-dichlorobutan-2-yl carbamate
CID 88641274
4-oxobutan-2-yl carbamate
CID 87311597
1-(2,2,2-trifluoroethylsulfanyl)butan-2-ylcarbamic acid
CID 130236304
[(2S)-2-carbamoyloxypropyl]-trimethylazanium chloride
CID 45266828
ethyl 3-carbamoyloxybutanoate
CID 88785770
1-trimethoxysilylpropan-2-yl carbamate
CID 175411103
4-methylsulfonylbutan-2-yl carbamate
CID 175546950

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl carbamate?
The IUPAC name of 1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl carbamate (CID 151776554) is 1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl carbamate.
What is the SMILES notation for 1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl carbamate?
The canonical SMILES for 1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl carbamate is CC(CSCC(F)(F)F)OC(N)=O.
What is the InChIKey of 1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl carbamate?
The InChIKey is RTRVGVMYDHXZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c1-4(12-5(10)11)2-13-3-6(7,8)9/h4H,2-3H2,1H3,(H2,10,11).
What are the key properties of 1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl carbamate?
1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl carbamate has a molecular weight of 217.21 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl carbamate is sourced from PubChem (CID 151776554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).