(E)-1,1,2,3,4,4-hexafluoro-1-propoxyhex-2-ene

C9H12F6O — CID 135128626

IUPAC(E)-1,1,2,3,4,4-hexafluoro-1-propoxyhex-2-ene
SMILESCCCOC(F)(F)/C(F)=C(\F)C(F)(F)CC
InChIInChI=1S/C9H12F6O/c1-3-5-16-9(14,15)7(11)6(10)8(12,13)4-2/h3-5H2,1-2H3/b7-6+
InChIKeyZEAAVVCRQIFCCI-VOTSOKGWSA-N
MW250.18 g/mol
LogP4.20
Rot. Bonds6

About (E)-1,1,2,3,4,4-hexafluoro-1-propoxyhex-2-ene

(E)-1,1,2,3,4,4-hexafluoro-1-propoxyhex-2-ene (PubChem CID 135128626) has the molecular formula C9H12F6O and a molecular weight of 250.18 g/mol. Its IUPAC name is (E)-1,1,2,3,4,4-hexafluoro-1-propoxyhex-2-ene.

Molecular Properties

Compound Name(E)-1,1,2,3,4,4-hexafluoro-1-propoxyhex-2-ene
PubChem CID135128626
Molecular FormulaC9H12F6O
Molecular Weight250.18 g/mol
Exact Mass250.08
IUPAC Name(E)-1,1,2,3,4,4-hexafluoro-1-propoxyhex-2-ene
SMILESCCCOC(F)(F)/C(F)=C(\F)C(F)(F)CC
InChIInChI=1S/C9H12F6O/c1-3-5-16-9(14,15)7(11)6(10)8(12,13)4-2/h3-5H2,1-2H3/b7-6+
InChIKeyZEAAVVCRQIFCCI-VOTSOKGWSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (E)-1,1,2,3,4,4-hexafluoro-1-propoxyhex-2-ene with MolForge

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Related Compounds

3,4,4,5,5,6,6,6-Octafluoro-1-methoxyhex-2-ene
CID 71429342
4-Ethoxy-1,1,1,2,3,4,5,5,5-nonafluoropent-2-ene
CID 12756904
(Z)-1,1,2,3-tetrafluoro-1-[(Z)-1,1,2,3-tetrafluoropent-2-enoxy]pent-2-ene
CID 87256324
(Z)-1,1,2,3-tetrafluoro-1-[(Z)-1,1,2,3-tetrafluorohex-2-enoxy]hex-2-ene
CID 88266507
(Z)-1,1,2-trifluoro-1-[(Z)-1,1,2-trifluoropent-2-enoxy]pent-2-ene
CID 88481339
(E)-1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-(2,2,3,3-tetrafluoropropoxy)oct-3-ene
CID 89614881
4,4,5,5,6,6,6-Heptafluoro-3-methyl-1-propoxyhex-2-ene
CID 90704672
4,4,5,5,6,6,6-Heptafluoro-1-propoxyhex-2-ene
CID 90755162
1-Ethoxy-4,4,5,5,6,6,6-heptafluorohex-2-ene
CID 91414688
1-Ethoxy-4,4,5,5,6,6,6-heptafluoro-3-methylhex-2-ene
CID 91803276
(2E,4E)-1,2,3,4,5,6,7,7,8,8,8-undecafluoro-6-propoxyocta-2,4-diene
CID 122591214
(E)-1,1,2,3,4,4-hexafluoro-1-methoxypent-2-ene
CID 135128622

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,2,3,4,4-hexafluoro-1-propoxyhex-2-ene?
The IUPAC name of (E)-1,1,2,3,4,4-hexafluoro-1-propoxyhex-2-ene (CID 135128626) is (E)-1,1,2,3,4,4-hexafluoro-1-propoxyhex-2-ene.
What is the SMILES notation for (E)-1,1,2,3,4,4-hexafluoro-1-propoxyhex-2-ene?
The canonical SMILES for (E)-1,1,2,3,4,4-hexafluoro-1-propoxyhex-2-ene is CCCOC(F)(F)/C(F)=C(\F)C(F)(F)CC.
What is the InChIKey of (E)-1,1,2,3,4,4-hexafluoro-1-propoxyhex-2-ene?
The InChIKey is ZEAAVVCRQIFCCI-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H12F6O/c1-3-5-16-9(14,15)7(11)6(10)8(12,13)4-2/h3-5H2,1-2H3/b7-6+.
What are the key properties of (E)-1,1,2,3,4,4-hexafluoro-1-propoxyhex-2-ene?
(E)-1,1,2,3,4,4-hexafluoro-1-propoxyhex-2-ene has a molecular weight of 250.18 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,2,3,4,4-hexafluoro-1-propoxyhex-2-ene is sourced from PubChem (CID 135128626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).