(3-cyclopentylidene-1,1-difluoroprop-2-enyl)-ethoxyphosphinic acid

C10H15F2O3P — CID 11975165

IUPAC(3-cyclopentylidene-1,1-difluoroprop-2-enyl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)C(F)(F)C=C=C1CCCC1
InChIInChI=1S/C10H15F2O3P/c1-2-15-16(13,14)10(11,12)8-7-9-5-3-4-6-9/h8H,2-6H2,1H3,(H,13,14)
InChIKeyBQCQNQLOOZMBBB-UHFFFAOYSA-N
MW252.20 g/mol
LogP3.46
Rot. Bonds4

About (3-cyclopentylidene-1,1-difluoroprop-2-enyl)-ethoxyphosphinic acid

(3-cyclopentylidene-1,1-difluoroprop-2-enyl)-ethoxyphosphinic acid (PubChem CID 11975165) has the molecular formula C10H15F2O3P and a molecular weight of 252.20 g/mol. Its IUPAC name is (3-cyclopentylidene-1,1-difluoroprop-2-enyl)-ethoxyphosphinic acid.

Molecular Properties

Compound Name(3-cyclopentylidene-1,1-difluoroprop-2-enyl)-ethoxyphosphinic acid
PubChem CID11975165
Molecular FormulaC10H15F2O3P
Molecular Weight252.20 g/mol
Exact Mass252.07
IUPAC Name(3-cyclopentylidene-1,1-difluoroprop-2-enyl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)C(F)(F)C=C=C1CCCC1
InChIInChI=1S/C10H15F2O3P/c1-2-15-16(13,14)10(11,12)8-7-9-5-3-4-6-9/h8H,2-6H2,1H3,(H,13,14)
InChIKeyBQCQNQLOOZMBBB-UHFFFAOYSA-N
XLogP3.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1,1-Difluoro-4-methylpenta-2,3-dienyl)-ethoxyphosphinic acid
CID 76764487
(2-Diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane
CID 102260719
(1,1-Difluoro-5-methylhexa-2,3-dienyl)-ethoxyphosphinic acid
CID 11975163
1-Diethoxyphosphoryl-4-ethyl-1,1-difluorohexa-2,3-diene
CID 102254198
(3-Diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclopentane
CID 102254199
1-Diethoxyphosphoryl-1,1-difluoro-4-methylhexa-2,3-diene
CID 102254200

Frequently Asked Questions

What is the IUPAC name of (3-cyclopentylidene-1,1-difluoroprop-2-enyl)-ethoxyphosphinic acid?
The IUPAC name of (3-cyclopentylidene-1,1-difluoroprop-2-enyl)-ethoxyphosphinic acid (CID 11975165) is (3-cyclopentylidene-1,1-difluoroprop-2-enyl)-ethoxyphosphinic acid.
What is the SMILES notation for (3-cyclopentylidene-1,1-difluoroprop-2-enyl)-ethoxyphosphinic acid?
The canonical SMILES for (3-cyclopentylidene-1,1-difluoroprop-2-enyl)-ethoxyphosphinic acid is CCOP(=O)(O)C(F)(F)C=C=C1CCCC1.
What is the InChIKey of (3-cyclopentylidene-1,1-difluoroprop-2-enyl)-ethoxyphosphinic acid?
The InChIKey is BQCQNQLOOZMBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2O3P/c1-2-15-16(13,14)10(11,12)8-7-9-5-3-4-6-9/h8H,2-6H2,1H3,(H,13,14).
What are the key properties of (3-cyclopentylidene-1,1-difluoroprop-2-enyl)-ethoxyphosphinic acid?
(3-cyclopentylidene-1,1-difluoroprop-2-enyl)-ethoxyphosphinic acid has a molecular weight of 252.20 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentylidene-1,1-difluoroprop-2-enyl)-ethoxyphosphinic acid is sourced from PubChem (CID 11975165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).