methyl (E,3R)-5-fluoro-2,3-dimethylpent-4-enoate

C8H13FO2 — CID 147666599

IUPACmethyl (E,3R)-5-fluoro-2,3-dimethylpent-4-enoate
SMILESCOC(=O)C(C)[C@@H](C)/C=C/F
InChIInChI=1S/C8H13FO2/c1-6(4-5-9)7(2)8(10)11-3/h4-7H,1-3H3/b5-4+/t6-,7?/m0/s1
InChIKeyGMKQMCPVNHYJAJ-GFTRKVAISA-N
MW160.19 g/mol
LogP1.91
Rot. Bonds3

About methyl (E,3R)-5-fluoro-2,3-dimethylpent-4-enoate

methyl (E,3R)-5-fluoro-2,3-dimethylpent-4-enoate (PubChem CID 147666599) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is methyl (E,3R)-5-fluoro-2,3-dimethylpent-4-enoate.

Molecular Properties

Compound Namemethyl (E,3R)-5-fluoro-2,3-dimethylpent-4-enoate
PubChem CID147666599
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Namemethyl (E,3R)-5-fluoro-2,3-dimethylpent-4-enoate
SMILESCOC(=O)C(C)[C@@H](C)/C=C/F
InChIInChI=1S/C8H13FO2/c1-6(4-5-9)7(2)8(10)11-3/h4-7H,1-3H3/b5-4+/t6-,7?/m0/s1
InChIKeyGMKQMCPVNHYJAJ-GFTRKVAISA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 2-methyl-4-pentenoate
CID 62024
4-Pentenoic acid, 3-methyl-, methyl ester
CID 534895
4-Pentenoic acid, 3-methylbutyl ester
CID 3086064
Methyl 2-isopropyl-4-pentenoate
CID 192001
Methyl 2-prop-2-enylpent-4-enoate
CID 574630
Methyl 2,2-dimethylpent-4-enoate
CID 11768679
Methyl 2-vinylbutanoate
CID 12647078
Methyl 2-methylpent-4-enoate
CID 13161277
4-Pentenoic acid, 2-(trifluoromethyl)-, ethyl ester
CID 10535862
Methyl 2-(trifluoromethyl)pent-4-enoate
CID 15724415
4-Pentenoic acid, 2-methyl-, propyl ester
CID 21313275
2-Methylpropyl 2-methylpent-4-enoate
CID 21489697

Frequently Asked Questions

What is the IUPAC name of methyl (E,3R)-5-fluoro-2,3-dimethylpent-4-enoate?
The IUPAC name of methyl (E,3R)-5-fluoro-2,3-dimethylpent-4-enoate (CID 147666599) is methyl (E,3R)-5-fluoro-2,3-dimethylpent-4-enoate.
What is the SMILES notation for methyl (E,3R)-5-fluoro-2,3-dimethylpent-4-enoate?
The canonical SMILES for methyl (E,3R)-5-fluoro-2,3-dimethylpent-4-enoate is COC(=O)C(C)[C@@H](C)/C=C/F.
What is the InChIKey of methyl (E,3R)-5-fluoro-2,3-dimethylpent-4-enoate?
The InChIKey is GMKQMCPVNHYJAJ-GFTRKVAISA-N. The full InChI is InChI=1S/C8H13FO2/c1-6(4-5-9)7(2)8(10)11-3/h4-7H,1-3H3/b5-4+/t6-,7?/m0/s1.
What are the key properties of methyl (E,3R)-5-fluoro-2,3-dimethylpent-4-enoate?
methyl (E,3R)-5-fluoro-2,3-dimethylpent-4-enoate has a molecular weight of 160.19 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,3R)-5-fluoro-2,3-dimethylpent-4-enoate is sourced from PubChem (CID 147666599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).