4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexane-1-carboxylic acid

C12H11F11O2 — CID 57209518

IUPAC4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C12H11F11O2/c13-8(14,6-3-1-5(2-4-6)7(24)25)9(15,16)10(17,18)11(19,20)12(21,22)23/h5-6H,1-4H2,(H,24,25)
InChIKeyBLCCCCKQIIVTLU-UHFFFAOYSA-N
MW396.20 g/mol
LogP4.98
Rot. Bonds5

About 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexane-1-carboxylic acid

4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexane-1-carboxylic acid (PubChem CID 57209518) has the molecular formula C12H11F11O2 and a molecular weight of 396.20 g/mol. Its IUPAC name is 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexane-1-carboxylic acid
PubChem CID57209518
Molecular FormulaC12H11F11O2
Molecular Weight396.20 g/mol
Exact Mass396.06
IUPAC Name4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C12H11F11O2/c13-8(14,6-3-1-5(2-4-6)7(24)25)9(15,16)10(17,18)11(19,20)12(21,22)23/h5-6H,1-4H2,(H,24,25)
InChIKeyBLCCCCKQIIVTLU-UHFFFAOYSA-N
XLogP4.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.20
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexane-1-carboxylic acid (CID 57209518) is 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1.
What is the InChIKey of 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexane-1-carboxylic acid?
The InChIKey is BLCCCCKQIIVTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F11O2/c13-8(14,6-3-1-5(2-4-6)7(24)25)9(15,16)10(17,18)11(19,20)12(21,22)23/h5-6H,1-4H2,(H,24,25).
What are the key properties of 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexane-1-carboxylic acid?
4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexane-1-carboxylic acid has a molecular weight of 396.20 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 57209518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).