methyl 3,3-difluoro-2-(1-phenylcyclopentyl)prop-2-enoate

C15H16F2O2 — CID 25007299

IUPACmethyl 3,3-difluoro-2-(1-phenylcyclopentyl)prop-2-enoate
SMILESCOC(=O)C(=C(F)F)C1(c2ccccc2)CCCC1
InChIInChI=1S/C15H16F2O2/c1-19-14(18)12(13(16)17)15(9-5-6-10-15)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyCQVHYRGDNUBRMM-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.82
Rot. Bonds3

About methyl 3,3-difluoro-2-(1-phenylcyclopentyl)prop-2-enoate

methyl 3,3-difluoro-2-(1-phenylcyclopentyl)prop-2-enoate (PubChem CID 25007299) has the molecular formula C15H16F2O2 and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl 3,3-difluoro-2-(1-phenylcyclopentyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3,3-difluoro-2-(1-phenylcyclopentyl)prop-2-enoate
PubChem CID25007299
Molecular FormulaC15H16F2O2
Molecular Weight266.29 g/mol
Exact Mass266.11
IUPAC Namemethyl 3,3-difluoro-2-(1-phenylcyclopentyl)prop-2-enoate
SMILESCOC(=O)C(=C(F)F)C1(c2ccccc2)CCCC1
InChIInChI=1S/C15H16F2O2/c1-19-14(18)12(13(16)17)15(9-5-6-10-15)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyCQVHYRGDNUBRMM-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.82
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 methyl 3,3-difluoro-2-(1-phenylcyclopentyl)prop-2-enoate?
The IUPAC name of methyl 3,3-difluoro-2-(1-phenylcyclopentyl)prop-2-enoate (CID 25007299) is methyl 3,3-difluoro-2-(1-phenylcyclopentyl)prop-2-enoate.
What is the SMILES notation for methyl 3,3-difluoro-2-(1-phenylcyclopentyl)prop-2-enoate?
The canonical SMILES for methyl 3,3-difluoro-2-(1-phenylcyclopentyl)prop-2-enoate is COC(=O)C(=C(F)F)C1(c2ccccc2)CCCC1.
What is the InChIKey of methyl 3,3-difluoro-2-(1-phenylcyclopentyl)prop-2-enoate?
The InChIKey is CQVHYRGDNUBRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2O2/c1-19-14(18)12(13(16)17)15(9-5-6-10-15)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3.
What are the key properties of methyl 3,3-difluoro-2-(1-phenylcyclopentyl)prop-2-enoate?
methyl 3,3-difluoro-2-(1-phenylcyclopentyl)prop-2-enoate has a molecular weight of 266.29 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-difluoro-2-(1-phenylcyclopentyl)prop-2-enoate is sourced from PubChem (CID 25007299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).