4-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexane-1-carboxylic acid

C10H11F7O2 — CID 57134313

IUPAC4-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(F)(F)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C10H11F7O2/c11-8(12,9(13,14)10(15,16)17)6-3-1-5(2-4-6)7(18)19/h5-6H,1-4H2,(H,18,19)
InChIKeyXHYURWMFYFFMBL-UHFFFAOYSA-N
MW296.18 g/mol
LogP3.71
Rot. Bonds3

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

4-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexane-1-carboxylic acid (PubChem CID 57134313) has the molecular formula C10H11F7O2 and a molecular weight of 296.18 g/mol. Its IUPAC name is 4-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexane-1-carboxylic acid
PubChem CID57134313
Molecular FormulaC10H11F7O2
Molecular Weight296.18 g/mol
Exact Mass296.06
IUPAC Name4-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(F)(F)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C10H11F7O2/c11-8(12,9(13,14)10(15,16)17)6-3-1-5(2-4-6)7(18)19/h5-6H,1-4H2,(H,18,19)
InChIKeyXHYURWMFYFFMBL-UHFFFAOYSA-N
XLogP3.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Pentylcyclohexanecarboxylic Acid
CID 98882
Cyclohexanecarboxylic acid, 4-hexyl-
CID 98831
4-Butylcyclohexanecarboxylic Acid (cis-and trans-mixture)
CID 2060518
4,4-Difluorocyclohexanecarboxylic acid
CID 2779136
Cyclohexanecarboxylic acid, 4-isobutyl-
CID 217396
Cyclohexanecarboxylic acid, 4-octyl-
CID 217399
4-Ethylcyclohexanecarboxylic Acid
CID 1490288
(1s,4r)-4-Propylcyclohexane-1-carboxylic acid
CID 1490324
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-2-methyldecanoic acid
CID 2752559
4-(Pentadecafluoroheptyl)cyclohexane-1-carboxylic acid
CID 18650021
2-Ethyl-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoic acid
CID 50741600
4-(Tridecafluorohexyl)cyclohexane-1-carboxylic acid
CID 57180877

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexane-1-carboxylic acid (CID 57134313) is 4-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(F)(F)C(F)(F)C(F)(F)F)CC1.
What is the InChIKey of 4-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexane-1-carboxylic acid?
The InChIKey is XHYURWMFYFFMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F7O2/c11-8(12,9(13,14)10(15,16)17)6-3-1-5(2-4-6)7(18)19/h5-6H,1-4H2,(H,18,19).
What are the key properties of 4-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexane-1-carboxylic acid?
4-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexane-1-carboxylic acid has a molecular weight of 296.18 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 57134313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).