1-cyclopropyl-2-ethyl-4,4-difluoropentane-1,3-dione

C10H14F2O2 — CID 165474309

IUPAC1-cyclopropyl-2-ethyl-4,4-difluoropentane-1,3-dione
SMILESCCC(C(=O)C1CC1)C(=O)C(C)(F)F
InChIInChI=1S/C10H14F2O2/c1-3-7(8(13)6-4-5-6)9(14)10(2,11)12/h6-7H,3-5H2,1-2H3
InChIKeyAWCZWSVNCLZMKR-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.22
Rot. Bonds5

About 1-cyclopropyl-2-ethyl-4,4-difluoropentane-1,3-dione

1-cyclopropyl-2-ethyl-4,4-difluoropentane-1,3-dione (PubChem CID 165474309) has the molecular formula C10H14F2O2 and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-cyclopropyl-2-ethyl-4,4-difluoropentane-1,3-dione.

Molecular Properties

Compound Name1-cyclopropyl-2-ethyl-4,4-difluoropentane-1,3-dione
PubChem CID165474309
Molecular FormulaC10H14F2O2
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name1-cyclopropyl-2-ethyl-4,4-difluoropentane-1,3-dione
SMILESCCC(C(=O)C1CC1)C(=O)C(C)(F)F
InChIInChI=1S/C10H14F2O2/c1-3-7(8(13)6-4-5-6)9(14)10(2,11)12/h6-7H,3-5H2,1-2H3
InChIKeyAWCZWSVNCLZMKR-UHFFFAOYSA-N
XLogP2.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-ethyl-4,4-difluoropentane-1,3-dione?
The IUPAC name of 1-cyclopropyl-2-ethyl-4,4-difluoropentane-1,3-dione (CID 165474309) is 1-cyclopropyl-2-ethyl-4,4-difluoropentane-1,3-dione.
What is the SMILES notation for 1-cyclopropyl-2-ethyl-4,4-difluoropentane-1,3-dione?
The canonical SMILES for 1-cyclopropyl-2-ethyl-4,4-difluoropentane-1,3-dione is CCC(C(=O)C1CC1)C(=O)C(C)(F)F.
What is the InChIKey of 1-cyclopropyl-2-ethyl-4,4-difluoropentane-1,3-dione?
The InChIKey is AWCZWSVNCLZMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O2/c1-3-7(8(13)6-4-5-6)9(14)10(2,11)12/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-ethyl-4,4-difluoropentane-1,3-dione?
1-cyclopropyl-2-ethyl-4,4-difluoropentane-1,3-dione has a molecular weight of 204.22 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-ethyl-4,4-difluoropentane-1,3-dione is sourced from PubChem (CID 165474309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).