[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamic acid

C9H13F3N2O3 — CID 87320818

IUPAC[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCCCC1NC(=O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)7(15)13-5-3-1-2-4-6(5)14-8(16)17/h5-6,14H,1-4H2,(H,13,15)(H,16,17)
InChIKeyUZWIGKPRRHISFC-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.24
Rot. Bonds2

About [2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamic acid

[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamic acid (PubChem CID 87320818) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is [2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamic acid
PubChem CID87320818
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCCCC1NC(=O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)7(15)13-5-3-1-2-4-6(5)14-8(16)17/h5-6,14H,1-4H2,(H,13,15)(H,16,17)
InChIKeyUZWIGKPRRHISFC-UHFFFAOYSA-N
XLogP1.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamic acid?
The IUPAC name of [2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamic acid (CID 87320818) is [2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamic acid?
The canonical SMILES for [2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamic acid is O=C(O)NC1CCCCC1NC(=O)C(F)(F)F.
What is the InChIKey of [2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamic acid?
The InChIKey is UZWIGKPRRHISFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c10-9(11,12)7(15)13-5-3-1-2-4-6(5)14-8(16)17/h5-6,14H,1-4H2,(H,13,15)(H,16,17).
What are the key properties of [2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamic acid?
[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamic acid has a molecular weight of 254.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 87320818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).