2,3,3,4,4-pentafluoro-6-methoxyhex-1-ene

C7H9F5O — CID 22897553

IUPAC2,3,3,4,4-pentafluoro-6-methoxyhex-1-ene
SMILESC=C(F)C(F)(F)C(F)(F)CCOC
InChIInChI=1S/C7H9F5O/c1-5(8)7(11,12)6(9,10)3-4-13-2/h1,3-4H2,2H3
InChIKeyYLYRAKYQUCDEFD-UHFFFAOYSA-N
MW204.14 g/mol
LogP2.78
Rot. Bonds5

About 2,3,3,4,4-pentafluoro-6-methoxyhex-1-ene

2,3,3,4,4-pentafluoro-6-methoxyhex-1-ene (PubChem CID 22897553) has the molecular formula C7H9F5O and a molecular weight of 204.14 g/mol. Its IUPAC name is 2,3,3,4,4-pentafluoro-6-methoxyhex-1-ene.

Molecular Properties

Compound Name2,3,3,4,4-pentafluoro-6-methoxyhex-1-ene
PubChem CID22897553
Molecular FormulaC7H9F5O
Molecular Weight204.14 g/mol
Exact Mass204.06
IUPAC Name2,3,3,4,4-pentafluoro-6-methoxyhex-1-ene
SMILESC=C(F)C(F)(F)C(F)(F)CCOC
InChIInChI=1S/C7H9F5O/c1-5(8)7(11,12)6(9,10)3-4-13-2/h1,3-4H2,2H3
InChIKeyYLYRAKYQUCDEFD-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.14
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 170095797
ethyl 2,2-difluoro-4-methoxybutanoate
CID 154655517
1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol
CID 54443930
2-fluoro-2-(2-methoxyethyl)propanedioic acid
CID 122239756
2,2-difluoro-3-hydroxy-5-methoxy-3-methylpentanoic acid
CID 62398662
[3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexyl] 2-(methoxymethyl)prop-2-enoate
CID 139680979
bis(methoxymethyl) 2-prop-2-enyl-2-(1,1,2-trifluoroprop-2-enyl)propanedioate
CID 59620792
3-fluoro-1-methoxypentane-3-sulfonic acid
CID 139293475
1-methoxy-3,6-dimethylhept-6-en-4-yn-3-ol
CID 71360956
3-(2-methoxyethyl)-3,5,5-trimethylhex-1-en-2-amine
CID 166803882
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91730617
3,3-difluoro-2-methoxypent-1-ene
CID 143721934

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4-pentafluoro-6-methoxyhex-1-ene?
The IUPAC name of 2,3,3,4,4-pentafluoro-6-methoxyhex-1-ene (CID 22897553) is 2,3,3,4,4-pentafluoro-6-methoxyhex-1-ene.
What is the SMILES notation for 2,3,3,4,4-pentafluoro-6-methoxyhex-1-ene?
The canonical SMILES for 2,3,3,4,4-pentafluoro-6-methoxyhex-1-ene is C=C(F)C(F)(F)C(F)(F)CCOC.
What is the InChIKey of 2,3,3,4,4-pentafluoro-6-methoxyhex-1-ene?
The InChIKey is YLYRAKYQUCDEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5O/c1-5(8)7(11,12)6(9,10)3-4-13-2/h1,3-4H2,2H3.
What are the key properties of 2,3,3,4,4-pentafluoro-6-methoxyhex-1-ene?
2,3,3,4,4-pentafluoro-6-methoxyhex-1-ene has a molecular weight of 204.14 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4-pentafluoro-6-methoxyhex-1-ene is sourced from PubChem (CID 22897553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).