2-hydroxyethyl(2,2,2-trifluoroethyl)carbamic acid

C5H8F3NO3 — CID 174219308

IUPAC2-hydroxyethyl(2,2,2-trifluoroethyl)carbamic acid
SMILESO=C(O)N(CCO)CC(F)(F)F
InChIInChI=1S/C5H8F3NO3/c6-5(7,8)3-9(1-2-10)4(11)12/h10H,1-3H2,(H,11,12)
InChIKeyNCDZBYIFMAURMV-UHFFFAOYSA-N
MW187.12 g/mol
LogP0.52
Rot. Bonds3

About 2-hydroxyethyl(2,2,2-trifluoroethyl)carbamic acid

2-hydroxyethyl(2,2,2-trifluoroethyl)carbamic acid (PubChem CID 174219308) has the molecular formula C5H8F3NO3 and a molecular weight of 187.12 g/mol. Its IUPAC name is 2-hydroxyethyl(2,2,2-trifluoroethyl)carbamic acid.

Molecular Properties

Compound Name2-hydroxyethyl(2,2,2-trifluoroethyl)carbamic acid
PubChem CID174219308
Molecular FormulaC5H8F3NO3
Molecular Weight187.12 g/mol
Exact Mass187.05
IUPAC Name2-hydroxyethyl(2,2,2-trifluoroethyl)carbamic acid
SMILESO=C(O)N(CCO)CC(F)(F)F
InChIInChI=1S/C5H8F3NO3/c6-5(7,8)3-9(1-2-10)4(11)12/h10H,1-3H2,(H,11,12)
InChIKeyNCDZBYIFMAURMV-UHFFFAOYSA-N
XLogP0.52
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-trifluoroacetyl ethanoloamine
CID 57161818
N-Ethyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 60999971
Bis(2-hydroxyethyl) carbamic acid
CID 15795359
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 64590692
2,2,2-trifluoro-N,N-bis(2-hydroxyethyl)acetamide
CID 1925938
N,N-bis(1-fluoro-2-hydroxyethyl)acetamide
CID 53861922
N-(difluoromethyl)-N-(2-hydroxyethyl)formamide
CID 87322028
N-(2-hydroxyethyl)-N-(trifluoromethyl)formamide
CID 87322422
2-Fluoroethyl(2-hydroxyethyl)carbamic acid
CID 87645973
2,2-difluoro-N-(2-hydroxyethyl)-N-methylacetamide
CID 103513890
Carboxy-(2-methoxyethyl)-methyl-(2,2,2-trifluoroethyl)azanium
CID 124102610
Carboxy-(2-fluoroethyl)-(2-methoxyethyl)-methylazanium
CID 124102612

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(2,2,2-trifluoroethyl)carbamic acid?
The IUPAC name of 2-hydroxyethyl(2,2,2-trifluoroethyl)carbamic acid (CID 174219308) is 2-hydroxyethyl(2,2,2-trifluoroethyl)carbamic acid.
What is the SMILES notation for 2-hydroxyethyl(2,2,2-trifluoroethyl)carbamic acid?
The canonical SMILES for 2-hydroxyethyl(2,2,2-trifluoroethyl)carbamic acid is O=C(O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-hydroxyethyl(2,2,2-trifluoroethyl)carbamic acid?
The InChIKey is NCDZBYIFMAURMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO3/c6-5(7,8)3-9(1-2-10)4(11)12/h10H,1-3H2,(H,11,12).
What are the key properties of 2-hydroxyethyl(2,2,2-trifluoroethyl)carbamic acid?
2-hydroxyethyl(2,2,2-trifluoroethyl)carbamic acid has a molecular weight of 187.12 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(2,2,2-trifluoroethyl)carbamic acid is sourced from PubChem (CID 174219308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).