5-(2,2,3,3-tetrafluoropropylcarbamoylamino)hexanoic acid

C10H16F4N2O3 — CID 106294846

IUPAC5-(2,2,3,3-tetrafluoropropylcarbamoylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C10H16F4N2O3/c1-6(3-2-4-7(17)18)16-9(19)15-5-10(13,14)8(11)12/h6,8H,2-5H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyIUELEKDTVKVWQR-UHFFFAOYSA-N
MW288.24 g/mol
LogP1.83
Rot. Bonds8

About 5-(2,2,3,3-tetrafluoropropylcarbamoylamino)hexanoic acid

5-(2,2,3,3-tetrafluoropropylcarbamoylamino)hexanoic acid (PubChem CID 106294846) has the molecular formula C10H16F4N2O3 and a molecular weight of 288.24 g/mol. Its IUPAC name is 5-(2,2,3,3-tetrafluoropropylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name5-(2,2,3,3-tetrafluoropropylcarbamoylamino)hexanoic acid
PubChem CID106294846
Molecular FormulaC10H16F4N2O3
Molecular Weight288.24 g/mol
Exact Mass288.11
IUPAC Name5-(2,2,3,3-tetrafluoropropylcarbamoylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C10H16F4N2O3/c1-6(3-2-4-7(17)18)16-9(19)15-5-10(13,14)8(11)12/h6,8H,2-5H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyIUELEKDTVKVWQR-UHFFFAOYSA-N
XLogP1.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,2,3,3-tetrafluoropropylcarbamoylamino)butanoic acid
CID 106294940
5-(prop-2-ynylcarbamoylamino)hexanoic acid
CID 82846572
3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid
CID 106295060
5-(tert-butylcarbamoylamino)hexanoic acid
CID 82854644
5-(pentan-2-ylcarbamoylamino)hexanoic acid
CID 82845875
5-(3-ethylpentan-3-ylcarbamoylamino)hexanoic acid
CID 82848932
5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid
CID 106295178
5-(heptan-2-ylcarbamoylamino)hexanoic acid
CID 82848165
5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]hexanoic acid
CID 82846283
4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106295708
3-methyl-3-(2,2,3,3-tetrafluoropropylcarbamoylamino)butanoic acid
CID 106294878
5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid
CID 82846795

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,3,3-tetrafluoropropylcarbamoylamino)hexanoic acid?
The IUPAC name of 5-(2,2,3,3-tetrafluoropropylcarbamoylamino)hexanoic acid (CID 106294846) is 5-(2,2,3,3-tetrafluoropropylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 5-(2,2,3,3-tetrafluoropropylcarbamoylamino)hexanoic acid?
The canonical SMILES for 5-(2,2,3,3-tetrafluoropropylcarbamoylamino)hexanoic acid is CC(CCCC(=O)O)NC(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 5-(2,2,3,3-tetrafluoropropylcarbamoylamino)hexanoic acid?
The InChIKey is IUELEKDTVKVWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N2O3/c1-6(3-2-4-7(17)18)16-9(19)15-5-10(13,14)8(11)12/h6,8H,2-5H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 5-(2,2,3,3-tetrafluoropropylcarbamoylamino)hexanoic acid?
5-(2,2,3,3-tetrafluoropropylcarbamoylamino)hexanoic acid has a molecular weight of 288.24 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3-tetrafluoropropylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 106294846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).