(Z)-1-(4-fluorocyclohexen-1-yl)-3-methoxyprop-2-en-1-one

C10H13FO2 — CID 149295052

IUPAC(Z)-1-(4-fluorocyclohexen-1-yl)-3-methoxyprop-2-en-1-one
SMILESCO/C=C\C(=O)C1=CCC(F)CC1
InChIInChI=1S/C10H13FO2/c1-13-7-6-10(12)8-2-4-9(11)5-3-8/h2,6-7,9H,3-5H2,1H3/b7-6-
InChIKeyXVPSAXKOPZEMJQ-SREVYHEPSA-N
MW184.21 g/mol
LogP2.16
Rot. Bonds3

About (Z)-1-(4-fluorocyclohexen-1-yl)-3-methoxyprop-2-en-1-one

(Z)-1-(4-fluorocyclohexen-1-yl)-3-methoxyprop-2-en-1-one (PubChem CID 149295052) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is (Z)-1-(4-fluorocyclohexen-1-yl)-3-methoxyprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-fluorocyclohexen-1-yl)-3-methoxyprop-2-en-1-one
PubChem CID149295052
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name(Z)-1-(4-fluorocyclohexen-1-yl)-3-methoxyprop-2-en-1-one
SMILESCO/C=C\C(=O)C1=CCC(F)CC1
InChIInChI=1S/C10H13FO2/c1-13-7-6-10(12)8-2-4-9(11)5-3-8/h2,6-7,9H,3-5H2,1H3/b7-6-
InChIKeyXVPSAXKOPZEMJQ-SREVYHEPSA-N
XLogP2.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-fluorocyclohexen-1-yl)-3-methoxyprop-2-en-1-one?
The IUPAC name of (Z)-1-(4-fluorocyclohexen-1-yl)-3-methoxyprop-2-en-1-one (CID 149295052) is (Z)-1-(4-fluorocyclohexen-1-yl)-3-methoxyprop-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-fluorocyclohexen-1-yl)-3-methoxyprop-2-en-1-one?
The canonical SMILES for (Z)-1-(4-fluorocyclohexen-1-yl)-3-methoxyprop-2-en-1-one is CO/C=C\C(=O)C1=CCC(F)CC1.
What is the InChIKey of (Z)-1-(4-fluorocyclohexen-1-yl)-3-methoxyprop-2-en-1-one?
The InChIKey is XVPSAXKOPZEMJQ-SREVYHEPSA-N. The full InChI is InChI=1S/C10H13FO2/c1-13-7-6-10(12)8-2-4-9(11)5-3-8/h2,6-7,9H,3-5H2,1H3/b7-6-.
What are the key properties of (Z)-1-(4-fluorocyclohexen-1-yl)-3-methoxyprop-2-en-1-one?
(Z)-1-(4-fluorocyclohexen-1-yl)-3-methoxyprop-2-en-1-one has a molecular weight of 184.21 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-fluorocyclohexen-1-yl)-3-methoxyprop-2-en-1-one is sourced from PubChem (CID 149295052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).