4-[(Z)-3-fluorobut-2-enyl]cyclohexane-1-carboxylic acid

C11H17FO2 — CID 90464705

IUPAC4-[(Z)-3-fluorobut-2-enyl]cyclohexane-1-carboxylic acid
SMILESC/C(F)=C/CC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H17FO2/c1-8(12)2-3-9-4-6-10(7-5-9)11(13)14/h2,9-10H,3-7H2,1H3,(H,13,14)/b8-2-
InChIKeyFLTGLNUMWPXSML-WAPJZHGLSA-N
MW200.25 g/mol
LogP3.14
Rot. Bonds3

About 4-[(Z)-3-fluorobut-2-enyl]cyclohexane-1-carboxylic acid

4-[(Z)-3-fluorobut-2-enyl]cyclohexane-1-carboxylic acid (PubChem CID 90464705) has the molecular formula C11H17FO2 and a molecular weight of 200.25 g/mol. Its IUPAC name is 4-[(Z)-3-fluorobut-2-enyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(Z)-3-fluorobut-2-enyl]cyclohexane-1-carboxylic acid
PubChem CID90464705
Molecular FormulaC11H17FO2
Molecular Weight200.25 g/mol
Exact Mass200.12
IUPAC Name4-[(Z)-3-fluorobut-2-enyl]cyclohexane-1-carboxylic acid
SMILESC/C(F)=C/CC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H17FO2/c1-8(12)2-3-9-4-6-10(7-5-9)11(13)14/h2,9-10H,3-7H2,1H3,(H,13,14)/b8-2-
InChIKeyFLTGLNUMWPXSML-WAPJZHGLSA-N
XLogP3.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-fluorobut-2-enyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(Z)-3-fluorobut-2-enyl]cyclohexane-1-carboxylic acid (CID 90464705) is 4-[(Z)-3-fluorobut-2-enyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(Z)-3-fluorobut-2-enyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(Z)-3-fluorobut-2-enyl]cyclohexane-1-carboxylic acid is C/C(F)=C/CC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(Z)-3-fluorobut-2-enyl]cyclohexane-1-carboxylic acid?
The InChIKey is FLTGLNUMWPXSML-WAPJZHGLSA-N. The full InChI is InChI=1S/C11H17FO2/c1-8(12)2-3-9-4-6-10(7-5-9)11(13)14/h2,9-10H,3-7H2,1H3,(H,13,14)/b8-2-.
What are the key properties of 4-[(Z)-3-fluorobut-2-enyl]cyclohexane-1-carboxylic acid?
4-[(Z)-3-fluorobut-2-enyl]cyclohexane-1-carboxylic acid has a molecular weight of 200.25 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-fluorobut-2-enyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 90464705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).