1-fluoropentan-2-yl prop-2-enoate

C8H13FO2 — CID 174661468

IUPAC1-fluoropentan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(CF)CCC
InChIInChI=1S/C8H13FO2/c1-3-5-7(6-9)11-8(10)4-2/h4,7H,2-3,5-6H2,1H3
InChIKeyZEFPFEAVBPLLGS-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.85
Rot. Bonds5

About 1-fluoropentan-2-yl prop-2-enoate

1-fluoropentan-2-yl prop-2-enoate (PubChem CID 174661468) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is 1-fluoropentan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-fluoropentan-2-yl prop-2-enoate
PubChem CID174661468
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name1-fluoropentan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(CF)CCC
InChIInChI=1S/C8H13FO2/c1-3-5-7(6-9)11-8(10)4-2/h4,7H,2-3,5-6H2,1H3
InChIKeyZEFPFEAVBPLLGS-UHFFFAOYSA-N
XLogP1.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-fluoropentan-2-yl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pentadecan-4-yl prop-2-enoate
CID 543287
1-prop-2-enoxypentan-2-yl prop-2-enoate
CID 171774459
(2-amino-2-methylheptan-4-yl) prop-2-enoate
CID 175405204
1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate
CID 164851657
heptadecan-8-yl prop-2-enoate
CID 121420657
octadecan-6-yl prop-2-enoate
CID 91523695
[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
tridecan-5-yl prop-2-enoate
CID 141073146
dodecan-3-yl prop-2-enoate
CID 543279
3-ethylheptan-4-yl prop-2-enoate
CID 123986793
5-prop-2-enoyloxynonan-3-yl prop-2-enoate
CID 102116715
octan-3-yl prop-2-enoate;prop-2-enoic acid
CID 87087074

Frequently Asked Questions

What is the IUPAC name of 1-fluoropentan-2-yl prop-2-enoate?
The IUPAC name of 1-fluoropentan-2-yl prop-2-enoate (CID 174661468) is 1-fluoropentan-2-yl prop-2-enoate.
What is the SMILES notation for 1-fluoropentan-2-yl prop-2-enoate?
The canonical SMILES for 1-fluoropentan-2-yl prop-2-enoate is C=CC(=O)OC(CF)CCC.
What is the InChIKey of 1-fluoropentan-2-yl prop-2-enoate?
The InChIKey is ZEFPFEAVBPLLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c1-3-5-7(6-9)11-8(10)4-2/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 1-fluoropentan-2-yl prop-2-enoate?
1-fluoropentan-2-yl prop-2-enoate has a molecular weight of 160.19 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropentan-2-yl prop-2-enoate is sourced from PubChem (CID 174661468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).