6-butoxy-3-fluorohex-2-ene

C10H19FO — CID 123258156

IUPAC6-butoxy-3-fluorohex-2-ene
SMILESCC=C(F)CCCOCCCC
InChIInChI=1S/C10H19FO/c1-3-5-8-12-9-6-7-10(11)4-2/h4H,3,5-9H2,1-2H3
InChIKeyDSHQRFDJTRZXRE-UHFFFAOYSA-N
MW174.26 g/mol
LogP3.46
Rot. Bonds7

About 6-butoxy-3-fluorohex-2-ene

6-butoxy-3-fluorohex-2-ene (PubChem CID 123258156) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is 6-butoxy-3-fluorohex-2-ene.

Molecular Properties

Compound Name6-butoxy-3-fluorohex-2-ene
PubChem CID123258156
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name6-butoxy-3-fluorohex-2-ene
SMILESCC=C(F)CCCOCCCC
InChIInChI=1S/C10H19FO/c1-3-5-8-12-9-6-7-10(11)4-2/h4H,3,5-9H2,1-2H3
InChIKeyDSHQRFDJTRZXRE-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2-fluoroethoxy)non-4-ene
CID 88557486
(E)-3-fluoro-6-methyl-7-propoxyhept-3-ene
CID 89420015
(E)-6-ethoxy-4-fluorohept-3-ene
CID 139381526
(E)-1-[(E)-3,3-difluorohex-4-enoxy]-7-methoxyhept-3-ene
CID 146336320
(E)-8,8,9,9-tetrafluoro-1-propoxynon-4-ene
CID 146747964
(E,6R)-7-ethoxy-2,3,6-trifluorooct-3-ene
CID 146798990
(E)-2-ethoxy-5-fluorooct-4-ene
CID 156060005
(3E,5Z)-9-ethoxy-4-ethyl-2-fluoronona-1,3,5-triene
CID 166969290
2-Pentene, 5-butoxy-, (E)-
CID 5364979
3-Heptene, 7-ethoxy-
CID 5367613
(Z)-6-(((Z)-hex-4-en-1-yl)oxy)hex-2-ene
CID 165413207
3-Heptene, 1-ethoxy-
CID 5365334

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-3-fluorohex-2-ene?
The IUPAC name of 6-butoxy-3-fluorohex-2-ene (CID 123258156) is 6-butoxy-3-fluorohex-2-ene.
What is the SMILES notation for 6-butoxy-3-fluorohex-2-ene?
The canonical SMILES for 6-butoxy-3-fluorohex-2-ene is CC=C(F)CCCOCCCC.
What is the InChIKey of 6-butoxy-3-fluorohex-2-ene?
The InChIKey is DSHQRFDJTRZXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO/c1-3-5-8-12-9-6-7-10(11)4-2/h4H,3,5-9H2,1-2H3.
What are the key properties of 6-butoxy-3-fluorohex-2-ene?
6-butoxy-3-fluorohex-2-ene has a molecular weight of 174.26 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-3-fluorohex-2-ene is sourced from PubChem (CID 123258156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).