ethane;(4-fluoro-3-methyl-5-oxooxolan-2-yl)methyl acetate;formaldehyde

C15H31FO5 — CID 143726042

IUPACethane;(4-fluoro-3-methyl-5-oxooxolan-2-yl)methyl acetate;formaldehyde
SMILESC=O.CC.CC.CC.CC(=O)OCC1OC(=O)C(F)C1C
InChIInChI=1S/C8H11FO4.3C2H6.CH2O/c1-4-6(3-12-5(2)10)13-8(11)7(4)9;4*1-2/h4,6-7H,3H2,1-2H3;3*1-2H3;1H2
InChIKeyNZXSKGSPRMBKCL-UHFFFAOYSA-N
MW310.41 g/mol
LogP3.34
Rot. Bonds2

About ethane;(4-fluoro-3-methyl-5-oxooxolan-2-yl)methyl acetate;formaldehyde

ethane;(4-fluoro-3-methyl-5-oxooxolan-2-yl)methyl acetate;formaldehyde (PubChem CID 143726042) has the molecular formula C15H31FO5 and a molecular weight of 310.41 g/mol. Its IUPAC name is ethane;(4-fluoro-3-methyl-5-oxooxolan-2-yl)methyl acetate;formaldehyde.

Molecular Properties

Compound Nameethane;(4-fluoro-3-methyl-5-oxooxolan-2-yl)methyl acetate;formaldehyde
PubChem CID143726042
Molecular FormulaC15H31FO5
Molecular Weight310.41 g/mol
Exact Mass310.22
IUPAC Nameethane;(4-fluoro-3-methyl-5-oxooxolan-2-yl)methyl acetate;formaldehyde
SMILESC=O.CC.CC.CC.CC(=O)OCC1OC(=O)C(F)C1C
InChIInChI=1S/C8H11FO4.3C2H6.CH2O/c1-4-6(3-12-5(2)10)13-8(11)7(4)9;4*1-2/h4,6-7H,3H2,1-2H3;3*1-2H3;1H2
InChIKeyNZXSKGSPRMBKCL-UHFFFAOYSA-N
XLogP3.34
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3R)-3-methyl-5-oxooxolan-2-yl]methyl acetate
CID 100952681
[(3aR,6R,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methyl acetate
CID 10609479
[(3S,4S,6S)-6-tert-butyl-5-fluoro-3,4-dimethyloxan-2-yl]methyl acetate
CID 159163704
[(2S,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate
CID 14260687
[(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-fluorooxan-2-yl]methyl acetate
CID 7427859
[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate
CID 58159411
[(4R,5R)-5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157593
[5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157591
[(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 170093751
[(3S,4R,6S)-3,4-diacetyloxy-5,6-dimethyloxan-2-yl]methyl acetate
CID 71155336
(3-acetyloxy-6-bromo-4-fluoro-5-methyloxan-2-yl)methyl acetate
CID 58981665
[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-methylideneoxan-2-yl]methyl acetate
CID 11290867

Frequently Asked Questions

What is the IUPAC name of ethane;(4-fluoro-3-methyl-5-oxooxolan-2-yl)methyl acetate;formaldehyde?
The IUPAC name of ethane;(4-fluoro-3-methyl-5-oxooxolan-2-yl)methyl acetate;formaldehyde (CID 143726042) is ethane;(4-fluoro-3-methyl-5-oxooxolan-2-yl)methyl acetate;formaldehyde.
What is the SMILES notation for ethane;(4-fluoro-3-methyl-5-oxooxolan-2-yl)methyl acetate;formaldehyde?
The canonical SMILES for ethane;(4-fluoro-3-methyl-5-oxooxolan-2-yl)methyl acetate;formaldehyde is C=O.CC.CC.CC.CC(=O)OCC1OC(=O)C(F)C1C.
What is the InChIKey of ethane;(4-fluoro-3-methyl-5-oxooxolan-2-yl)methyl acetate;formaldehyde?
The InChIKey is NZXSKGSPRMBKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO4.3C2H6.CH2O/c1-4-6(3-12-5(2)10)13-8(11)7(4)9;4*1-2/h4,6-7H,3H2,1-2H3;3*1-2H3;1H2.
What are the key properties of ethane;(4-fluoro-3-methyl-5-oxooxolan-2-yl)methyl acetate;formaldehyde?
ethane;(4-fluoro-3-methyl-5-oxooxolan-2-yl)methyl acetate;formaldehyde has a molecular weight of 310.41 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-fluoro-3-methyl-5-oxooxolan-2-yl)methyl acetate;formaldehyde is sourced from PubChem (CID 143726042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).