(3E)-3-(difluoromethoxy)penta-1,3-diene

C6H8F2O — CID 143010384

IUPAC(3E)-3-(difluoromethoxy)penta-1,3-diene
SMILESC=C/C(=C\C)OC(F)F
InChIInChI=1S/C6H8F2O/c1-3-5(4-2)9-6(7)8/h3-4,6H,1H2,2H3/b5-4+
InChIKeyNLXKVGJUUOWSMQ-SNAWJCMRSA-N
MW134.12 g/mol
LogP2.32
Rot. Bonds3

About (3E)-3-(difluoromethoxy)penta-1,3-diene

(3E)-3-(difluoromethoxy)penta-1,3-diene (PubChem CID 143010384) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is (3E)-3-(difluoromethoxy)penta-1,3-diene.

Molecular Properties

Compound Name(3E)-3-(difluoromethoxy)penta-1,3-diene
PubChem CID143010384
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name(3E)-3-(difluoromethoxy)penta-1,3-diene
SMILESC=C/C(=C\C)OC(F)F
InChIInChI=1S/C6H8F2O/c1-3-5(4-2)9-6(7)8/h3-4,6H,1H2,2H3/b5-4+
InChIKeyNLXKVGJUUOWSMQ-SNAWJCMRSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-propan-2-yloxypenta-1,3-diene
CID 123296318
[(3E)-penta-1,3-dien-3-yl] formate
CID 142087020
(2Z)-3-(difluoromethoxy)-2-ethenylpenta-2,4-dienal
CID 177184192
ethane;(3Z,5E)-3-methyl-5-propan-2-yloxyhepta-1,3,5-triene
CID 162765220
ethane;(3E,5Z)-3-propan-2-yloxyhepta-1,3,5-triene
CID 143474027
[(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
CID 15727159
1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride
CID 161214870
(3E,5E)-5-(difluoromethoxy)-3-methylocta-3,5-diene
CID 143342131
4-ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene
CID 123931875
2-penta-1,3-dien-3-yloxyacetic acid
CID 91026141
(3E,9Z)-11-(difluoromethoxy)-10-methyl-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yn-3-ol
CID 145479643
1-methyl-4-penta-1,3-dien-3-yloxybenzene
CID 123811564

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(difluoromethoxy)penta-1,3-diene?
The IUPAC name of (3E)-3-(difluoromethoxy)penta-1,3-diene (CID 143010384) is (3E)-3-(difluoromethoxy)penta-1,3-diene.
What is the SMILES notation for (3E)-3-(difluoromethoxy)penta-1,3-diene?
The canonical SMILES for (3E)-3-(difluoromethoxy)penta-1,3-diene is C=C/C(=C\C)OC(F)F.
What is the InChIKey of (3E)-3-(difluoromethoxy)penta-1,3-diene?
The InChIKey is NLXKVGJUUOWSMQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H8F2O/c1-3-5(4-2)9-6(7)8/h3-4,6H,1H2,2H3/b5-4+.
What are the key properties of (3E)-3-(difluoromethoxy)penta-1,3-diene?
(3E)-3-(difluoromethoxy)penta-1,3-diene has a molecular weight of 134.12 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(difluoromethoxy)penta-1,3-diene is sourced from PubChem (CID 143010384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).