ethane;1-fluoroethenylbenzene;oxolane

C14H21FO — CID 91220828

IUPACethane;1-fluoroethenylbenzene;oxolane
SMILESC1CCOC1.C=C(F)c1ccccc1.CC
InChIInChI=1S/C8H7F.C4H8O.C2H6/c1-7(9)8-5-3-2-4-6-8;1-2-4-5-3-1;1-2/h2-6H,1H2;1-4H2;1-2H3
InChIKeyWHDWRYAMNQQURV-UHFFFAOYSA-N
MW224.32 g/mol
LogP4.45
Rot. Bonds1

About ethane;1-fluoroethenylbenzene;oxolane

ethane;1-fluoroethenylbenzene;oxolane (PubChem CID 91220828) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is ethane;1-fluoroethenylbenzene;oxolane.

Molecular Properties

Compound Nameethane;1-fluoroethenylbenzene;oxolane
PubChem CID91220828
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Nameethane;1-fluoroethenylbenzene;oxolane
SMILESC1CCOC1.C=C(F)c1ccccc1.CC
InChIInChI=1S/C8H7F.C4H8O.C2H6/c1-7(9)8-5-3-2-4-6-8;1-2-4-5-3-1;1-2/h2-6H,1H2;1-4H2;1-2H3
InChIKeyWHDWRYAMNQQURV-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

benzoic acid;oxane
CID 158907979
oxane;oxolane;toluene
CID 70182101
4-[4-(1-fluoroethenyl)phenyl]morpholine
CID 125492138
anisole;oxolane
CID 21469894
benzene;oxane
CID 19832785
CID 11129167
CID 11129167
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
benzeneselenolate;erbium(3+);oxolane
CID 139134737
prop-1-en-2-ylbenzene;1,1,2,2-tetrafluoroethene
CID 161134762
oxolane;phenoxybenzene
CID 22620896
oxane;styrene
CID 69477465
1-(1-fluoroethenyl)-4-phenoxybenzene
CID 170308040

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoroethenylbenzene;oxolane?
The IUPAC name of ethane;1-fluoroethenylbenzene;oxolane (CID 91220828) is ethane;1-fluoroethenylbenzene;oxolane.
What is the SMILES notation for ethane;1-fluoroethenylbenzene;oxolane?
The canonical SMILES for ethane;1-fluoroethenylbenzene;oxolane is C1CCOC1.C=C(F)c1ccccc1.CC.
What is the InChIKey of ethane;1-fluoroethenylbenzene;oxolane?
The InChIKey is WHDWRYAMNQQURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F.C4H8O.C2H6/c1-7(9)8-5-3-2-4-6-8;1-2-4-5-3-1;1-2/h2-6H,1H2;1-4H2;1-2H3.
What are the key properties of ethane;1-fluoroethenylbenzene;oxolane?
ethane;1-fluoroethenylbenzene;oxolane has a molecular weight of 224.32 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoroethenylbenzene;oxolane is sourced from PubChem (CID 91220828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).