ethyl (Z)-4,4-difluoro-2-propylpent-2-enoate

C10H16F2O2 — CID 58725306

IUPACethyl (Z)-4,4-difluoro-2-propylpent-2-enoate
SMILESCCC/C(=C/C(C)(F)F)C(=O)OCC
InChIInChI=1S/C10H16F2O2/c1-4-6-8(7-10(3,11)12)9(13)14-5-2/h7H,4-6H2,1-3H3/b8-7-
InChIKeyAHMNXOAGUJNBHW-FPLPWBNLSA-N
MW206.23 g/mol
LogP2.93
Rot. Bonds5

About ethyl (Z)-4,4-difluoro-2-propylpent-2-enoate

ethyl (Z)-4,4-difluoro-2-propylpent-2-enoate (PubChem CID 58725306) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is ethyl (Z)-4,4-difluoro-2-propylpent-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-4,4-difluoro-2-propylpent-2-enoate
PubChem CID58725306
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Nameethyl (Z)-4,4-difluoro-2-propylpent-2-enoate
SMILESCCC/C(=C/C(C)(F)F)C(=O)OCC
InChIInChI=1S/C10H16F2O2/c1-4-6-8(7-10(3,11)12)9(13)14-5-2/h7H,4-6H2,1-3H3/b8-7-
InChIKeyAHMNXOAGUJNBHW-FPLPWBNLSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 52.93
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

Geranyl tiglate
CID 5367785
Geranyl valerate
CID 5365850
Neryl valerate
CID 6436375
Geranyl Angelate
CID 38988903
2-Butenoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E,Z)-
CID 20836217
Manshurolide
CID 14527198
Methyl 2-propylpent-2-enoate
CID 10241045
5,9-Dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
CID 126219
(5Z,9Z)-5,9-dimethyl-1-oxacycloundeca-5,9-dien-2-one
CID 6477517
(E)-3,7-Dimethyl-2,6-octadienyl 2-methylisocrotonate
CID 16205469
[(2E)-3,7-dimethylocta-2,6-dienyl] 2,2,2-trifluoroacetate
CID 11299686
ethyl (2E)-2-(2,2,2-trifluoroethylidene)hex-4-ynoate
CID 101501475

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-4,4-difluoro-2-propylpent-2-enoate?
The IUPAC name of ethyl (Z)-4,4-difluoro-2-propylpent-2-enoate (CID 58725306) is ethyl (Z)-4,4-difluoro-2-propylpent-2-enoate.
What is the SMILES notation for ethyl (Z)-4,4-difluoro-2-propylpent-2-enoate?
The canonical SMILES for ethyl (Z)-4,4-difluoro-2-propylpent-2-enoate is CCC/C(=C/C(C)(F)F)C(=O)OCC.
What is the InChIKey of ethyl (Z)-4,4-difluoro-2-propylpent-2-enoate?
The InChIKey is AHMNXOAGUJNBHW-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H16F2O2/c1-4-6-8(7-10(3,11)12)9(13)14-5-2/h7H,4-6H2,1-3H3/b8-7-.
What are the key properties of ethyl (Z)-4,4-difluoro-2-propylpent-2-enoate?
ethyl (Z)-4,4-difluoro-2-propylpent-2-enoate has a molecular weight of 206.23 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-4,4-difluoro-2-propylpent-2-enoate is sourced from PubChem (CID 58725306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).