(E,6R)-7-ethoxy-2,3,6-trifluorooct-3-ene

C10H17F3O — CID 146798990

IUPAC(E,6R)-7-ethoxy-2,3,6-trifluorooct-3-ene
SMILESCCOC(C)[C@H](F)C/C=C(/F)C(C)F
InChIInChI=1S/C10H17F3O/c1-4-14-8(3)10(13)6-5-9(12)7(2)11/h5,7-8,10H,4,6H2,1-3H3/b9-5+/t7?,8?,10-/m1/s1
InChIKeyRXKWRWIMNKETPF-JXBDZODDSA-N
MW210.24 g/mol
LogP3.35
Rot. Bonds6

About (E,6R)-7-ethoxy-2,3,6-trifluorooct-3-ene

(E,6R)-7-ethoxy-2,3,6-trifluorooct-3-ene (PubChem CID 146798990) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is (E,6R)-7-ethoxy-2,3,6-trifluorooct-3-ene.

Molecular Properties

Compound Name(E,6R)-7-ethoxy-2,3,6-trifluorooct-3-ene
PubChem CID146798990
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name(E,6R)-7-ethoxy-2,3,6-trifluorooct-3-ene
SMILESCCOC(C)[C@H](F)C/C=C(/F)C(C)F
InChIInChI=1S/C10H17F3O/c1-4-14-8(3)10(13)6-5-9(12)7(2)11/h5,7-8,10H,4,6H2,1-3H3/b9-5+/t7?,8?,10-/m1/s1
InChIKeyRXKWRWIMNKETPF-JXBDZODDSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E,6R)-7-ethoxy-2,3,6-trifluorooct-3-ene?
The IUPAC name of (E,6R)-7-ethoxy-2,3,6-trifluorooct-3-ene (CID 146798990) is (E,6R)-7-ethoxy-2,3,6-trifluorooct-3-ene.
What is the SMILES notation for (E,6R)-7-ethoxy-2,3,6-trifluorooct-3-ene?
The canonical SMILES for (E,6R)-7-ethoxy-2,3,6-trifluorooct-3-ene is CCOC(C)[C@H](F)C/C=C(/F)C(C)F.
What is the InChIKey of (E,6R)-7-ethoxy-2,3,6-trifluorooct-3-ene?
The InChIKey is RXKWRWIMNKETPF-JXBDZODDSA-N. The full InChI is InChI=1S/C10H17F3O/c1-4-14-8(3)10(13)6-5-9(12)7(2)11/h5,7-8,10H,4,6H2,1-3H3/b9-5+/t7?,8?,10-/m1/s1.
What are the key properties of (E,6R)-7-ethoxy-2,3,6-trifluorooct-3-ene?
(E,6R)-7-ethoxy-2,3,6-trifluorooct-3-ene has a molecular weight of 210.24 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-7-ethoxy-2,3,6-trifluorooct-3-ene is sourced from PubChem (CID 146798990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).