4-[(E)-3-fluoroprop-2-enyl]cyclohexane-1-carboxylic acid

C10H15FO2 — CID 66818063

IUPAC4-[(E)-3-fluoroprop-2-enyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C/C=C/F)CC1
InChIInChI=1S/C10H15FO2/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1,7-9H,2-6H2,(H,12,13)/b7-1+
InChIKeyNDESKBHQYRIKLT-LREOWRDNSA-N
MW186.23 g/mol
LogP2.75
Rot. Bonds3

About 4-[(E)-3-fluoroprop-2-enyl]cyclohexane-1-carboxylic acid

4-[(E)-3-fluoroprop-2-enyl]cyclohexane-1-carboxylic acid (PubChem CID 66818063) has the molecular formula C10H15FO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is 4-[(E)-3-fluoroprop-2-enyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(E)-3-fluoroprop-2-enyl]cyclohexane-1-carboxylic acid
PubChem CID66818063
Molecular FormulaC10H15FO2
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Name4-[(E)-3-fluoroprop-2-enyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C/C=C/F)CC1
InChIInChI=1S/C10H15FO2/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1,7-9H,2-6H2,(H,12,13)/b7-1+
InChIKeyNDESKBHQYRIKLT-LREOWRDNSA-N
XLogP2.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-fluoroprop-2-enyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(E)-3-fluoroprop-2-enyl]cyclohexane-1-carboxylic acid (CID 66818063) is 4-[(E)-3-fluoroprop-2-enyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(E)-3-fluoroprop-2-enyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(E)-3-fluoroprop-2-enyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C/C=C/F)CC1.
What is the InChIKey of 4-[(E)-3-fluoroprop-2-enyl]cyclohexane-1-carboxylic acid?
The InChIKey is NDESKBHQYRIKLT-LREOWRDNSA-N. The full InChI is InChI=1S/C10H15FO2/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1,7-9H,2-6H2,(H,12,13)/b7-1+.
What are the key properties of 4-[(E)-3-fluoroprop-2-enyl]cyclohexane-1-carboxylic acid?
4-[(E)-3-fluoroprop-2-enyl]cyclohexane-1-carboxylic acid has a molecular weight of 186.23 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-fluoroprop-2-enyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66818063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).