3-[difluoro(3-fluoropropoxy)methyl]-3-ethenoxyhepta-1,6-diene

C13H19F3O2 — CID 122631413

IUPAC3-[difluoro(3-fluoropropoxy)methyl]-3-ethenoxyhepta-1,6-diene
SMILESC=CCCC(C=C)(OC=C)C(F)(F)OCCCF
InChIInChI=1S/C13H19F3O2/c1-4-7-9-12(5-2,17-6-3)13(15,16)18-11-8-10-14/h4-6H,1-3,7-11H2
InChIKeyAITJZNIWZCURNH-UHFFFAOYSA-N
MW264.29 g/mol
LogP4.01
Rot. Bonds11

About 3-[difluoro(3-fluoropropoxy)methyl]-3-ethenoxyhepta-1,6-diene

3-[difluoro(3-fluoropropoxy)methyl]-3-ethenoxyhepta-1,6-diene (PubChem CID 122631413) has the molecular formula C13H19F3O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-[difluoro(3-fluoropropoxy)methyl]-3-ethenoxyhepta-1,6-diene.

Molecular Properties

Compound Name3-[difluoro(3-fluoropropoxy)methyl]-3-ethenoxyhepta-1,6-diene
PubChem CID122631413
Molecular FormulaC13H19F3O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name3-[difluoro(3-fluoropropoxy)methyl]-3-ethenoxyhepta-1,6-diene
SMILESC=CCCC(C=C)(OC=C)C(F)(F)OCCCF
InChIInChI=1S/C13H19F3O2/c1-4-7-9-12(5-2,17-6-3)13(15,16)18-11-8-10-14/h4-6H,1-3,7-11H2
InChIKeyAITJZNIWZCURNH-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoropent-1-ene;methane;tetrafluoromethane
CID 158259366
5-but-3-enoxy-5-fluoronona-1,8-diene
CID 122631410
1-(3-ethenoxypropoxy)-1,1,2,2,3,3,3-heptafluoropropane
CID 57235301
4-[1,1-difluoro-3-(trifluoromethoxy)propyl]octa-1,7-dien-4-ol
CID 161288540
5,5-bis(ethenyl)nona-1,8-diene
CID 100960520
tris(hex-5-enoxy)methylsilane
CID 123357910
4-(1,1-difluoropropoxy)but-1-ene
CID 88900247
tris(fluoromethoxy)methoxyethene
CID 174924408
6-bromo-5,5-difluorohex-1-ene
CID 10512188
2,2-difluorohex-5-en-1-ol
CID 150546008
8,8,8-trifluorooct-1-ene
CID 11008282
2-methyl-2-pent-4-enoxybut-3-en-1-ol
CID 20697432

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(3-fluoropropoxy)methyl]-3-ethenoxyhepta-1,6-diene?
The IUPAC name of 3-[difluoro(3-fluoropropoxy)methyl]-3-ethenoxyhepta-1,6-diene (CID 122631413) is 3-[difluoro(3-fluoropropoxy)methyl]-3-ethenoxyhepta-1,6-diene.
What is the SMILES notation for 3-[difluoro(3-fluoropropoxy)methyl]-3-ethenoxyhepta-1,6-diene?
The canonical SMILES for 3-[difluoro(3-fluoropropoxy)methyl]-3-ethenoxyhepta-1,6-diene is C=CCCC(C=C)(OC=C)C(F)(F)OCCCF.
What is the InChIKey of 3-[difluoro(3-fluoropropoxy)methyl]-3-ethenoxyhepta-1,6-diene?
The InChIKey is AITJZNIWZCURNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3O2/c1-4-7-9-12(5-2,17-6-3)13(15,16)18-11-8-10-14/h4-6H,1-3,7-11H2.
What are the key properties of 3-[difluoro(3-fluoropropoxy)methyl]-3-ethenoxyhepta-1,6-diene?
3-[difluoro(3-fluoropropoxy)methyl]-3-ethenoxyhepta-1,6-diene has a molecular weight of 264.29 g/mol, XLogP of 4.01, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(3-fluoropropoxy)methyl]-3-ethenoxyhepta-1,6-diene is sourced from PubChem (CID 122631413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).