propyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate

C13H21FO2 — CID 165388528

IUPACpropyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate
SMILESC=C(C(=O)OCCC)C(F)C1CCCCC1
InChIInChI=1S/C13H21FO2/c1-3-9-16-13(15)10(2)12(14)11-7-5-4-6-8-11/h11-12H,2-9H2,1H3
InChIKeyCUWQWRWLNVKUHN-UHFFFAOYSA-N
MW228.31 g/mol
LogP3.41
Rot. Bonds5

About propyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate

propyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate (PubChem CID 165388528) has the molecular formula C13H21FO2 and a molecular weight of 228.31 g/mol. Its IUPAC name is propyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate.

Molecular Properties

Compound Namepropyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate
PubChem CID165388528
Molecular FormulaC13H21FO2
Molecular Weight228.31 g/mol
Exact Mass228.15
IUPAC Namepropyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate
SMILESC=C(C(=O)OCCC)C(F)C1CCCCC1
InChIInChI=1S/C13H21FO2/c1-3-9-16-13(15)10(2)12(14)11-7-5-4-6-8-11/h11-12H,2-9H2,1H3
InChIKeyCUWQWRWLNVKUHN-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 53.41
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 4-methylidenecyclohexane-1-carboxylate
CID 15151435
Ethyl2-cyclopentylprop-2-enoate
CID 12924368
4-Cyclohexyl-6-methyl-3-methylideneoxan-2-one
CID 45483942
Ethyl 2-cyclohexylprop-2-enoate
CID 11019501
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CID 11745574
Ethyl 2-methylideneoctanoate
CID 12456491
Ethyl (2-methylidenecyclohexyl)acetate
CID 12679490
Ethyl 2-methylenetridecanoate
CID 13661680
Methyl 2-(cyclohexylmethyl)acrylate
CID 53837850
ethyl (2E)-2-(fluoromethylidene)decanoate
CID 177852420
methyl (4R,6R,8R)-4,6,8-trimethyl-2-methylideneundecanoate
CID 134854594
Ethyl 2-methylidenenonanoate
CID 10703126

Frequently Asked Questions

What is the IUPAC name of propyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate?
The IUPAC name of propyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate (CID 165388528) is propyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate.
What is the SMILES notation for propyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate?
The canonical SMILES for propyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate is C=C(C(=O)OCCC)C(F)C1CCCCC1.
What is the InChIKey of propyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate?
The InChIKey is CUWQWRWLNVKUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FO2/c1-3-9-16-13(15)10(2)12(14)11-7-5-4-6-8-11/h11-12H,2-9H2,1H3.
What are the key properties of propyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate?
propyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate has a molecular weight of 228.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate is sourced from PubChem (CID 165388528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).