6-(trifluoromethylcarbamoylamino)hexanoic acid

C8H13F3N2O3 — CID 108865862

IUPAC6-(trifluoromethylcarbamoylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)NC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c9-8(10,11)13-7(16)12-5-3-1-2-4-6(14)15/h1-5H2,(H,14,15)(H2,12,13,16)
InChIKeySZABFMXDNRDZPV-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.45
Rot. Bonds6

About 6-(trifluoromethylcarbamoylamino)hexanoic acid

6-(trifluoromethylcarbamoylamino)hexanoic acid (PubChem CID 108865862) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 6-(trifluoromethylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name6-(trifluoromethylcarbamoylamino)hexanoic acid
PubChem CID108865862
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name6-(trifluoromethylcarbamoylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)NC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c9-8(10,11)13-7(16)12-5-3-1-2-4-6(14)15/h1-5H2,(H,14,15)(H2,12,13,16)
InChIKeySZABFMXDNRDZPV-UHFFFAOYSA-N
XLogP1.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

7-(butylcarbamoylamino)heptanoic acid
CID 28786256
4-(tert-butylcarbamoylamino)butanoic acid
CID 2185486
4-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid
CID 63227541
4-[2-(trifluoromethoxy)ethylcarbamoylamino]butanoic acid
CID 122011442
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
6-[[2-(5-carboxypentylamino)-2-sulfanylideneethanethioyl]amino]hexanoic acid
CID 3033251
6-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoylamino)hexanoic acid
CID 14496524
4-(2-methylbutan-2-ylcarbamoylamino)butanoic acid
CID 61186754
6-(3-methoxypropylcarbamoylamino)hexanoic acid
CID 61196708

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethylcarbamoylamino)hexanoic acid?
The IUPAC name of 6-(trifluoromethylcarbamoylamino)hexanoic acid (CID 108865862) is 6-(trifluoromethylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 6-(trifluoromethylcarbamoylamino)hexanoic acid?
The canonical SMILES for 6-(trifluoromethylcarbamoylamino)hexanoic acid is O=C(O)CCCCCNC(=O)NC(F)(F)F.
What is the InChIKey of 6-(trifluoromethylcarbamoylamino)hexanoic acid?
The InChIKey is SZABFMXDNRDZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c9-8(10,11)13-7(16)12-5-3-1-2-4-6(14)15/h1-5H2,(H,14,15)(H2,12,13,16).
What are the key properties of 6-(trifluoromethylcarbamoylamino)hexanoic acid?
6-(trifluoromethylcarbamoylamino)hexanoic acid has a molecular weight of 242.20 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 108865862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).