2-butyl-3-fluorooxirene

C6H9FO — CID 139665601

IUPAC2-butyl-3-fluorooxirene
SMILESCCCCC1=C(F)O1
InChIInChI=1S/C6H9FO/c1-2-3-4-5-6(7)8-5/h2-4H2,1H3
InChIKeyPAQHPTCXDATZSB-UHFFFAOYSA-N
MW116.13 g/mol
LogP2.35
Rot. Bonds3

About 2-butyl-3-fluorooxirene

2-butyl-3-fluorooxirene (PubChem CID 139665601) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 2-butyl-3-fluorooxirene.

Molecular Properties

Compound Name2-butyl-3-fluorooxirene
PubChem CID139665601
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name2-butyl-3-fluorooxirene
SMILESCCCCC1=C(F)O1
InChIInChI=1S/C6H9FO/c1-2-3-4-5-6(7)8-5/h2-4H2,1H3
InChIKeyPAQHPTCXDATZSB-UHFFFAOYSA-N
XLogP2.35
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-3-ethenyloxirene
CID 141178181
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
1,3,5-tributyl-2,4,6-trimethylbenzene
CID 123628431
(4-butyl-2,3,5,6-tetrafluorophenyl)methanamine
CID 19433019
2,2,4-trifluoro-5-propyl-1,3-dioxole
CID 23553812
1-butyl-4-ethyl-2,3-difluorobenzene
CID 139904703
1,3,5-tributyl-2,4,6-triethylbenzene
CID 10925571
4,6-dibutyl-3-fluorocyclohexa-3,5-diene-1,2-dione
CID 69498549
3-butyloxiran-2-one
CID 18762090
1-butyl-4-[4-[4-(4-butyl-2,5-difluorophenyl)-2,5-difluorophenyl]-2,5-difluorophenyl]-2,5-difluorobenzene
CID 59906802
1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 14092719
(3-butyl-4-fluorophenyl)-trimethylsilane
CID 15292812

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-fluorooxirene?
The IUPAC name of 2-butyl-3-fluorooxirene (CID 139665601) is 2-butyl-3-fluorooxirene.
What is the SMILES notation for 2-butyl-3-fluorooxirene?
The canonical SMILES for 2-butyl-3-fluorooxirene is CCCCC1=C(F)O1.
What is the InChIKey of 2-butyl-3-fluorooxirene?
The InChIKey is PAQHPTCXDATZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c1-2-3-4-5-6(7)8-5/h2-4H2,1H3.
What are the key properties of 2-butyl-3-fluorooxirene?
2-butyl-3-fluorooxirene has a molecular weight of 116.13 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-fluorooxirene is sourced from PubChem (CID 139665601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).