1-amino-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-carboxylic acid

C7H3F10NO2 — CID 174986049

IUPAC1-amino-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-carboxylic acid
SMILESNC1(C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H3F10NO2/c8-3(9)2(18,1(19)20)4(10,11)6(14,15)7(16,17)5(3,12)13/h18H2,(H,19,20)
InChIKeyVDQDXXVMVOSIOO-UHFFFAOYSA-N
MW323.09 g/mol
LogP1.96
Rot. Bonds1

About 1-amino-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-carboxylic acid

1-amino-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-carboxylic acid (PubChem CID 174986049) has the molecular formula C7H3F10NO2 and a molecular weight of 323.09 g/mol. Its IUPAC name is 1-amino-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-carboxylic acid
PubChem CID174986049
Molecular FormulaC7H3F10NO2
Molecular Weight323.09 g/mol
Exact Mass323.00
IUPAC Name1-amino-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-carboxylic acid
SMILESNC1(C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H3F10NO2/c8-3(9)2(18,1(19)20)4(10,11)6(14,15)7(16,17)5(3,12)13/h18H2,(H,19,20)
InChIKeyVDQDXXVMVOSIOO-UHFFFAOYSA-N
XLogP1.96
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.09
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-amino-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-carboxylic acid (CID 174986049) is 1-amino-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-carboxylic acid is NC1(C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-amino-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-carboxylic acid?
The InChIKey is VDQDXXVMVOSIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F10NO2/c8-3(9)2(18,1(19)20)4(10,11)6(14,15)7(16,17)5(3,12)13/h18H2,(H,19,20).
What are the key properties of 1-amino-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-carboxylic acid?
1-amino-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-carboxylic acid has a molecular weight of 323.09 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-carboxylic acid is sourced from PubChem (CID 174986049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).