fluoromethyl octyl carbonate

C10H19FO3 — CID 14177385

IUPACfluoromethyl octyl carbonate
SMILESCCCCCCCCOC(=O)OCF
InChIInChI=1S/C10H19FO3/c1-2-3-4-5-6-7-8-13-10(12)14-9-11/h2-9H2,1H3
InChIKeyWSEDYGMVTPATPL-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.43
Rot. Bonds8

About fluoromethyl octyl carbonate

fluoromethyl octyl carbonate (PubChem CID 14177385) has the molecular formula C10H19FO3 and a molecular weight of 206.26 g/mol. Its IUPAC name is fluoromethyl octyl carbonate.

Molecular Properties

Compound Namefluoromethyl octyl carbonate
PubChem CID14177385
Molecular FormulaC10H19FO3
Molecular Weight206.26 g/mol
Exact Mass206.13
IUPAC Namefluoromethyl octyl carbonate
SMILESCCCCCCCCOC(=O)OCF
InChIInChI=1S/C10H19FO3/c1-2-3-4-5-6-7-8-13-10(12)14-9-11/h2-9H2,1H3
InChIKeyWSEDYGMVTPATPL-UHFFFAOYSA-N
XLogP3.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dicaprylyl Carbonate
CID 9904000
Didodecyl carbonate
CID 246981
Carbonic acid, decyn-1-yl methyl ester
CID 102111
1-(Methoxymethoxy)dodecane
CID 542380
1-(Methoxymethoxy)octane
CID 10931936
1,3-Dioxacyclotridecan-2-one
CID 106297
Didecyl carbonate
CID 221759
Dihexyl carbonate
CID 522576
Carbonic acid, heptyl methyl ester
CID 526768
Methyl octyl carbonate
CID 6421218
Carbonic acid, ethyl hexyl ester
CID 6421510
Ethyl octan-2-yl carbonate
CID 13296853

Frequently Asked Questions

What is the IUPAC name of fluoromethyl octyl carbonate?
The IUPAC name of fluoromethyl octyl carbonate (CID 14177385) is fluoromethyl octyl carbonate.
What is the SMILES notation for fluoromethyl octyl carbonate?
The canonical SMILES for fluoromethyl octyl carbonate is CCCCCCCCOC(=O)OCF.
What is the InChIKey of fluoromethyl octyl carbonate?
The InChIKey is WSEDYGMVTPATPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO3/c1-2-3-4-5-6-7-8-13-10(12)14-9-11/h2-9H2,1H3.
What are the key properties of fluoromethyl octyl carbonate?
fluoromethyl octyl carbonate has a molecular weight of 206.26 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl octyl carbonate is sourced from PubChem (CID 14177385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).