(2-amino-3,3,3-trifluoro-2-methylpropyl)carbamic acid

C5H9F3N2O2 — CID 90114387

IUPAC(2-amino-3,3,3-trifluoro-2-methylpropyl)carbamic acid
SMILESCC(N)(CNC(=O)O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O2/c1-4(9,5(6,7)8)2-10-3(11)12/h10H,2,9H2,1H3,(H,11,12)
InChIKeyGXSXIPQDSDBAMM-UHFFFAOYSA-N
MW186.13 g/mol
LogP0.53
Rot. Bonds2

About (2-amino-3,3,3-trifluoro-2-methylpropyl)carbamic acid

(2-amino-3,3,3-trifluoro-2-methylpropyl)carbamic acid (PubChem CID 90114387) has the molecular formula C5H9F3N2O2 and a molecular weight of 186.13 g/mol. Its IUPAC name is (2-amino-3,3,3-trifluoro-2-methylpropyl)carbamic acid.

Molecular Properties

Compound Name(2-amino-3,3,3-trifluoro-2-methylpropyl)carbamic acid
PubChem CID90114387
Molecular FormulaC5H9F3N2O2
Molecular Weight186.13 g/mol
Exact Mass186.06
IUPAC Name(2-amino-3,3,3-trifluoro-2-methylpropyl)carbamic acid
SMILESCC(N)(CNC(=O)O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O2/c1-4(9,5(6,7)8)2-10-3(11)12/h10H,2,9H2,1H3,(H,11,12)
InChIKeyGXSXIPQDSDBAMM-UHFFFAOYSA-N
XLogP0.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

CID 87189265
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CID 88688287
CID 88688287
CID 88688289
CID 88688289
CID 89486717
CID 89486717
CID 89486785
CID 89486785
CID 89486798
CID 89486798
CID 89486925
CID 89486925
CID 89488195
CID 89488195
CID 89537806
CID 89537806
CID 89537807
CID 89537807
CID 89588368
CID 89588368
CID 90120361
CID 90120361

Frequently Asked Questions

What is the IUPAC name of (2-amino-3,3,3-trifluoro-2-methylpropyl)carbamic acid?
The IUPAC name of (2-amino-3,3,3-trifluoro-2-methylpropyl)carbamic acid (CID 90114387) is (2-amino-3,3,3-trifluoro-2-methylpropyl)carbamic acid.
What is the SMILES notation for (2-amino-3,3,3-trifluoro-2-methylpropyl)carbamic acid?
The canonical SMILES for (2-amino-3,3,3-trifluoro-2-methylpropyl)carbamic acid is CC(N)(CNC(=O)O)C(F)(F)F.
What is the InChIKey of (2-amino-3,3,3-trifluoro-2-methylpropyl)carbamic acid?
The InChIKey is GXSXIPQDSDBAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O2/c1-4(9,5(6,7)8)2-10-3(11)12/h10H,2,9H2,1H3,(H,11,12).
What are the key properties of (2-amino-3,3,3-trifluoro-2-methylpropyl)carbamic acid?
(2-amino-3,3,3-trifluoro-2-methylpropyl)carbamic acid has a molecular weight of 186.13 g/mol, XLogP of 0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3,3,3-trifluoro-2-methylpropyl)carbamic acid is sourced from PubChem (CID 90114387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).