methyl (2Z,4Z)-3-fluoro-2-prop-1-en-2-ylhexa-2,4-dienoate

C10H13FO2 — CID 145277565

IUPACmethyl (2Z,4Z)-3-fluoro-2-prop-1-en-2-ylhexa-2,4-dienoate
SMILESC=C(C)/C(C(=O)OC)=C(F)\C=C/C
InChIInChI=1S/C10H13FO2/c1-5-6-8(11)9(7(2)3)10(12)13-4/h5-6H,2H2,1,3-4H3/b6-5-,9-8-
InChIKeyHMWRCNHNPVKMIM-AFJQJTPPSA-N
MW184.21 g/mol
LogP2.54
Rot. Bonds3

About methyl (2Z,4Z)-3-fluoro-2-prop-1-en-2-ylhexa-2,4-dienoate

methyl (2Z,4Z)-3-fluoro-2-prop-1-en-2-ylhexa-2,4-dienoate (PubChem CID 145277565) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is methyl (2Z,4Z)-3-fluoro-2-prop-1-en-2-ylhexa-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2Z,4Z)-3-fluoro-2-prop-1-en-2-ylhexa-2,4-dienoate
PubChem CID145277565
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Namemethyl (2Z,4Z)-3-fluoro-2-prop-1-en-2-ylhexa-2,4-dienoate
SMILESC=C(C)/C(C(=O)OC)=C(F)\C=C/C
InChIInChI=1S/C10H13FO2/c1-5-6-8(11)9(7(2)3)10(12)13-4/h5-6H,2H2,1,3-4H3/b6-5-,9-8-
InChIKeyHMWRCNHNPVKMIM-AFJQJTPPSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
CID 143399324
ethyl (E)-but-2-enoate;methyl 2-methylprop-2-enoate
CID 18785000
methyl 2,3-dimethylhexa-2,4-dienoate
CID 72585476
methyl 2-methylprop-2-enoate;nickel
CID 88732958
dimethyl 2-(difluoromethylidene)propanedioate
CID 23264341
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
methyl 2-methylprop-2-enoate;polane
CID 173074189
methyl (2Z)-4-fluoro-2-(1-fluoroethenyl)-3-formylpenta-2,4-dienoate
CID 143201584
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239

Frequently Asked Questions

What is the IUPAC name of methyl (2Z,4Z)-3-fluoro-2-prop-1-en-2-ylhexa-2,4-dienoate?
The IUPAC name of methyl (2Z,4Z)-3-fluoro-2-prop-1-en-2-ylhexa-2,4-dienoate (CID 145277565) is methyl (2Z,4Z)-3-fluoro-2-prop-1-en-2-ylhexa-2,4-dienoate.
What is the SMILES notation for methyl (2Z,4Z)-3-fluoro-2-prop-1-en-2-ylhexa-2,4-dienoate?
The canonical SMILES for methyl (2Z,4Z)-3-fluoro-2-prop-1-en-2-ylhexa-2,4-dienoate is C=C(C)/C(C(=O)OC)=C(F)\C=C/C.
What is the InChIKey of methyl (2Z,4Z)-3-fluoro-2-prop-1-en-2-ylhexa-2,4-dienoate?
The InChIKey is HMWRCNHNPVKMIM-AFJQJTPPSA-N. The full InChI is InChI=1S/C10H13FO2/c1-5-6-8(11)9(7(2)3)10(12)13-4/h5-6H,2H2,1,3-4H3/b6-5-,9-8-.
What are the key properties of methyl (2Z,4Z)-3-fluoro-2-prop-1-en-2-ylhexa-2,4-dienoate?
methyl (2Z,4Z)-3-fluoro-2-prop-1-en-2-ylhexa-2,4-dienoate has a molecular weight of 184.21 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,4Z)-3-fluoro-2-prop-1-en-2-ylhexa-2,4-dienoate is sourced from PubChem (CID 145277565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).