methyl 2-(cyclopentylmethyl)-3,3-difluoroprop-2-enoate

C10H14F2O2 — CID 11298647

IUPACmethyl 2-(cyclopentylmethyl)-3,3-difluoroprop-2-enoate
SMILESCOC(=O)C(CC1CCCC1)=C(F)F
InChIInChI=1S/C10H14F2O2/c1-14-10(13)8(9(11)12)6-7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyRCPKGTMRUXOYMP-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.89
Rot. Bonds3

About methyl 2-(cyclopentylmethyl)-3,3-difluoroprop-2-enoate

methyl 2-(cyclopentylmethyl)-3,3-difluoroprop-2-enoate (PubChem CID 11298647) has the molecular formula C10H14F2O2 and a molecular weight of 204.22 g/mol. Its IUPAC name is methyl 2-(cyclopentylmethyl)-3,3-difluoroprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(cyclopentylmethyl)-3,3-difluoroprop-2-enoate
PubChem CID11298647
Molecular FormulaC10H14F2O2
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Namemethyl 2-(cyclopentylmethyl)-3,3-difluoroprop-2-enoate
SMILESCOC(=O)C(CC1CCCC1)=C(F)F
InChIInChI=1S/C10H14F2O2/c1-14-10(13)8(9(11)12)6-7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyRCPKGTMRUXOYMP-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 2-(cyclopentylmethyl)-3,3-difluoroprop-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

1-Methyl cyclopentyl acrylate
CID 18533533
Methyl 2-(difluoromethylidene)-7-oxooctanoate
CID 11229734
Methyl 4-cyclohexyl-2-(difluoromethylidene)butanoate
CID 11322211
Methyl 2-(difluoromethylidene)heptanoate
CID 11412868
Methyl 2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)prop-2-enoate
CID 22400638
Methyl 2-(difluoromethylidene)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-nonadecafluorododecanoate
CID 53374997
Methyl 2-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)prop-2-enoate
CID 87965282
Methyl 2-(2,2,3,3,4,4,5,5-octafluorocyclopentyl)prop-2-enoate
CID 87965709
2-Methylpropyl 2-(difluoromethylidene)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoate
CID 140204198
Methyl 2-(difluoromethylidene)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoate
CID 140204206
2-Methylpropyl 2-(difluoromethylidene)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoate
CID 140204218
2-Methylpropyl 2-(difluoromethylidene)-4,4,5,5,6,6,7,7,8,8,8-undecafluorooctanoate
CID 140204220

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentylmethyl)-3,3-difluoroprop-2-enoate?
The IUPAC name of methyl 2-(cyclopentylmethyl)-3,3-difluoroprop-2-enoate (CID 11298647) is methyl 2-(cyclopentylmethyl)-3,3-difluoroprop-2-enoate.
What is the SMILES notation for methyl 2-(cyclopentylmethyl)-3,3-difluoroprop-2-enoate?
The canonical SMILES for methyl 2-(cyclopentylmethyl)-3,3-difluoroprop-2-enoate is COC(=O)C(CC1CCCC1)=C(F)F.
What is the InChIKey of methyl 2-(cyclopentylmethyl)-3,3-difluoroprop-2-enoate?
The InChIKey is RCPKGTMRUXOYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O2/c1-14-10(13)8(9(11)12)6-7-4-2-3-5-7/h7H,2-6H2,1H3.
What are the key properties of methyl 2-(cyclopentylmethyl)-3,3-difluoroprop-2-enoate?
methyl 2-(cyclopentylmethyl)-3,3-difluoroprop-2-enoate has a molecular weight of 204.22 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentylmethyl)-3,3-difluoroprop-2-enoate is sourced from PubChem (CID 11298647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).