(1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)carbamic acid

C6H10F3NO3 — CID 87433314

IUPAC(1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)carbamic acid
SMILESCC(C)(O)C(NC(=O)O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-5(2,13)3(6(7,8)9)10-4(11)12/h3,10,13H,1-2H3,(H,11,12)
InChIKeyGFTSCSSGUQTOED-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.96
Rot. Bonds2

About (1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)carbamic acid

(1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)carbamic acid (PubChem CID 87433314) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is (1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)carbamic acid.

Molecular Properties

Compound Name(1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)carbamic acid
PubChem CID87433314
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name(1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)carbamic acid
SMILESCC(C)(O)C(NC(=O)O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-5(2,13)3(6(7,8)9)10-4(11)12/h3,10,13H,1-2H3,(H,11,12)
InChIKeyGFTSCSSGUQTOED-UHFFFAOYSA-N
XLogP0.96
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)carbamic acid?
The IUPAC name of (1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)carbamic acid (CID 87433314) is (1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)carbamic acid.
What is the SMILES notation for (1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)carbamic acid?
The canonical SMILES for (1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)carbamic acid is CC(C)(O)C(NC(=O)O)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)carbamic acid?
The InChIKey is GFTSCSSGUQTOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-5(2,13)3(6(7,8)9)10-4(11)12/h3,10,13H,1-2H3,(H,11,12).
What are the key properties of (1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)carbamic acid?
(1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)carbamic acid has a molecular weight of 201.14 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)carbamic acid is sourced from PubChem (CID 87433314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).