(3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene

C14H21FO — CID 88905328

IUPAC(3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene
SMILESC=C/C=C(C(=C)C(C)CCOC)\C(F)=C/C
InChIInChI=1S/C14H21FO/c1-6-8-13(14(15)7-2)12(4)11(3)9-10-16-5/h6-8,11H,1,4,9-10H2,2-3,5H3/b13-8-,14-7+
InChIKeyRPFLTPUGEAGZOE-MHJUWLSHSA-N
MW224.32 g/mol
LogP4.20
Rot. Bonds7

About (3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene

(3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene (PubChem CID 88905328) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is (3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene.

Molecular Properties

Compound Name(3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene
PubChem CID88905328
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name(3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene
SMILESC=C/C=C(C(=C)C(C)CCOC)\C(F)=C/C
InChIInChI=1S/C14H21FO/c1-6-8-13(14(15)7-2)12(4)11(3)9-10-16-5/h6-8,11H,1,4,9-10H2,2-3,5H3/b13-8-,14-7+
InChIKeyRPFLTPUGEAGZOE-MHJUWLSHSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene with MolForge

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Related Compounds

(3E)-4-fluoro-6-methyl-5-methylidenedeca-1,3-diene
CID 144599508
(3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene
CID 145192071
ethane;(4Z)-4-[(E)-1-fluoroprop-1-enyl]-2-methylhepta-4,6-dienoic acid
CID 145135167
prop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
CID 143875383
1-methoxydec-9-ene-3,6-diol
CID 91577196
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
2-methoxyethanol;propan-2-ol;prop-1-ene
CID 87495214
1,2-dimethoxyethane;tris(prop-1-ene)
CID 159658676
2-hydroxy-6-methoxy-4-methylhexan-3-one
CID 103451528
1-methoxypropan-2-ol;tris(prop-1-ene)
CID 162146240
(3E,5E)-6-fluoro-3-(3-methoxypropoxy)hepta-1,3,5-triene
CID 89318749
(7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol
CID 143909116

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene?
The IUPAC name of (3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene (CID 88905328) is (3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene.
What is the SMILES notation for (3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene?
The canonical SMILES for (3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene is C=C/C=C(C(=C)C(C)CCOC)\C(F)=C/C.
What is the InChIKey of (3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene?
The InChIKey is RPFLTPUGEAGZOE-MHJUWLSHSA-N. The full InChI is InChI=1S/C14H21FO/c1-6-8-13(14(15)7-2)12(4)11(3)9-10-16-5/h6-8,11H,1,4,9-10H2,2-3,5H3/b13-8-,14-7+.
What are the key properties of (3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene?
(3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene has a molecular weight of 224.32 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene is sourced from PubChem (CID 88905328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).