propyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate

C11H17FO2 — CID 23168303

IUPACpropyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate
SMILESCCCOC(=O)/C(F)=C\C1CC1(C)C
InChIInChI=1S/C11H17FO2/c1-4-5-14-10(13)9(12)6-8-7-11(8,2)3/h6,8H,4-5,7H2,1-3H3/b9-6+
InChIKeyHYXAJFLJTHGROC-RMKNXTFCSA-N
MW200.25 g/mol
LogP2.84
Rot. Bonds4

About propyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate

propyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate (PubChem CID 23168303) has the molecular formula C11H17FO2 and a molecular weight of 200.25 g/mol. Its IUPAC name is propyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate.

Molecular Properties

Compound Namepropyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate
PubChem CID23168303
Molecular FormulaC11H17FO2
Molecular Weight200.25 g/mol
Exact Mass200.12
IUPAC Namepropyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate
SMILESCCCOC(=O)/C(F)=C\C1CC1(C)C
InChIInChI=1S/C11H17FO2/c1-4-5-14-10(13)9(12)6-8-7-11(8,2)3/h6,8H,4-5,7H2,1-3H3/b9-6+
InChIKeyHYXAJFLJTHGROC-RMKNXTFCSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 52.84
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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Related Compounds

ethyl (E)-4-ethyl-2-fluorohex-2-enoate
CID 11052397
trans-methyl (1S,3S)-3-[(Z)-3-ethoxy-2-fluoro-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 23650738
ethyl (E)-2-fluoro-3,5,5-trimethylhex-2-enoate
CID 134964014
ethyl (Z)-2-fluoro-5,5-dimethylhex-2-enoate
CID 135060777
(2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl)methyl (e)-2-methyl-2-butenoate
CID 132279410
ethyl (Z)-2-fluoro-3-(2-pentan-3-ylcyclopropyl)prop-2-enoate
CID 171855211
ethyl (Z)-3-(2-cyclopentylcyclopropyl)-2-fluoroprop-2-enoate
CID 171855229
ethyl (Z)-3-(2-cyclohexylcyclopropyl)-2-fluoroprop-2-enoate
CID 171855253
ethyl (Z)-3-[2-(2,2-dimethylpropyl)cyclopropyl]-2-fluoroprop-2-enoate
CID 172640151
ethyl (Z)-2-fluoro-3-(2-pentylcyclopropyl)prop-2-enoate
CID 172640159
methyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate
CID 19881887
tert-butyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate
CID 23044335

Frequently Asked Questions

What is the IUPAC name of propyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate?
The IUPAC name of propyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate (CID 23168303) is propyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate.
What is the SMILES notation for propyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate?
The canonical SMILES for propyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate is CCCOC(=O)/C(F)=C\C1CC1(C)C.
What is the InChIKey of propyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate?
The InChIKey is HYXAJFLJTHGROC-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H17FO2/c1-4-5-14-10(13)9(12)6-8-7-11(8,2)3/h6,8H,4-5,7H2,1-3H3/b9-6+.
What are the key properties of propyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate?
propyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate has a molecular weight of 200.25 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate is sourced from PubChem (CID 23168303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).