1,1,1-trifluoropropan-2-yl N-(2-hydroxyethyl)carbamate

C6H10F3NO3 — CID 3629883

IUPAC1,1,1-trifluoropropan-2-yl N-(2-hydroxyethyl)carbamate
SMILESCC(OC(=O)NCCO)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-4(6(7,8)9)13-5(12)10-2-3-11/h4,11H,2-3H2,1H3,(H,10,12)
InChIKeyUXEKKYHCQHLJSY-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.66
Rot. Bonds3

About 1,1,1-trifluoropropan-2-yl N-(2-hydroxyethyl)carbamate

1,1,1-trifluoropropan-2-yl N-(2-hydroxyethyl)carbamate (PubChem CID 3629883) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-yl N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name1,1,1-trifluoropropan-2-yl N-(2-hydroxyethyl)carbamate
PubChem CID3629883
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name1,1,1-trifluoropropan-2-yl N-(2-hydroxyethyl)carbamate
SMILESCC(OC(=O)NCCO)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-4(6(7,8)9)13-5(12)10-2-3-11/h4,11H,2-3H2,1H3,(H,10,12)
InChIKeyUXEKKYHCQHLJSY-UHFFFAOYSA-N
XLogP0.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoropropan-2-yl N-phenylcarbamate
CID 134123596
[(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate
CID 134419359
propan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate
CID 116656095
(2R)-2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid
CID 86677924
1,1,1-trifluoropropan-2-yl butanoate
CID 135290882
N-(2-hydroxyethyl)-2-methyl-3-propan-2-yloxypropanamide
CID 139806299
propan-2-yl N-(2,2-difluoropropyl)carbamate
CID 139305684
3-amino-N-(2-hydroxyethyl)-2-methylpropanamide
CID 54555473
(2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide
CID 143641934
tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 161081619
1-bromo-3-methylbutane;tert-butyl N-(2-hydroxyethyl)carbamate;3-methylbutan-1-ol
CID 166148501
propan-2-yl N-(2-chloroethyl)carbamate
CID 15649892

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropropan-2-yl N-(2-hydroxyethyl)carbamate?
The IUPAC name of 1,1,1-trifluoropropan-2-yl N-(2-hydroxyethyl)carbamate (CID 3629883) is 1,1,1-trifluoropropan-2-yl N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for 1,1,1-trifluoropropan-2-yl N-(2-hydroxyethyl)carbamate?
The canonical SMILES for 1,1,1-trifluoropropan-2-yl N-(2-hydroxyethyl)carbamate is CC(OC(=O)NCCO)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropropan-2-yl N-(2-hydroxyethyl)carbamate?
The InChIKey is UXEKKYHCQHLJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-4(6(7,8)9)13-5(12)10-2-3-11/h4,11H,2-3H2,1H3,(H,10,12).
What are the key properties of 1,1,1-trifluoropropan-2-yl N-(2-hydroxyethyl)carbamate?
1,1,1-trifluoropropan-2-yl N-(2-hydroxyethyl)carbamate has a molecular weight of 201.14 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropropan-2-yl N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 3629883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).