(2-fluorocyclohexen-1-yl) prop-2-enoate

C9H11FO2 — CID 175078200

IUPAC(2-fluorocyclohexen-1-yl) prop-2-enoate
SMILESC=CC(=O)OC1=C(F)CCCC1
InChIInChI=1S/C9H11FO2/c1-2-9(11)12-8-6-4-3-5-7(8)10/h2H,1,3-6H2
InChIKeyQCXHCESVTFAPHA-UHFFFAOYSA-N
MW170.18 g/mol
LogP2.47
Rot. Bonds2

About (2-fluorocyclohexen-1-yl) prop-2-enoate

(2-fluorocyclohexen-1-yl) prop-2-enoate (PubChem CID 175078200) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is (2-fluorocyclohexen-1-yl) prop-2-enoate.

Molecular Properties

Compound Name(2-fluorocyclohexen-1-yl) prop-2-enoate
PubChem CID175078200
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name(2-fluorocyclohexen-1-yl) prop-2-enoate
SMILESC=CC(=O)OC1=C(F)CCCC1
InChIInChI=1S/C9H11FO2/c1-2-9(11)12-8-6-4-3-5-7(8)10/h2H,1,3-6H2
InChIKeyQCXHCESVTFAPHA-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluorocyclohexen-1-yl) prop-2-enoate?
The IUPAC name of (2-fluorocyclohexen-1-yl) prop-2-enoate (CID 175078200) is (2-fluorocyclohexen-1-yl) prop-2-enoate.
What is the SMILES notation for (2-fluorocyclohexen-1-yl) prop-2-enoate?
The canonical SMILES for (2-fluorocyclohexen-1-yl) prop-2-enoate is C=CC(=O)OC1=C(F)CCCC1.
What is the InChIKey of (2-fluorocyclohexen-1-yl) prop-2-enoate?
The InChIKey is QCXHCESVTFAPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c1-2-9(11)12-8-6-4-3-5-7(8)10/h2H,1,3-6H2.
What are the key properties of (2-fluorocyclohexen-1-yl) prop-2-enoate?
(2-fluorocyclohexen-1-yl) prop-2-enoate has a molecular weight of 170.18 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorocyclohexen-1-yl) prop-2-enoate is sourced from PubChem (CID 175078200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).