fluoroethane;1-fluoro-3-(fluoromethoxy)propane;fluoromethane

C7H16F4O — CID 90892790

IUPACfluoroethane;1-fluoro-3-(fluoromethoxy)propane;fluoromethane
SMILESCCF.CF.FCCCOCF
InChIInChI=1S/C4H8F2O.C2H5F.CH3F/c5-2-1-3-7-4-6;1-2-3;1-2/h1-4H2;2H2,1H3;1H3
InChIKeySDKIQZYGRHYCMY-UHFFFAOYSA-N
MW192.20 g/mol
LogP2.85
Rot. Bonds4

About fluoroethane;1-fluoro-3-(fluoromethoxy)propane;fluoromethane

fluoroethane;1-fluoro-3-(fluoromethoxy)propane;fluoromethane (PubChem CID 90892790) has the molecular formula C7H16F4O and a molecular weight of 192.20 g/mol. Its IUPAC name is fluoroethane;1-fluoro-3-(fluoromethoxy)propane;fluoromethane.

Molecular Properties

Compound Namefluoroethane;1-fluoro-3-(fluoromethoxy)propane;fluoromethane
PubChem CID90892790
Molecular FormulaC7H16F4O
Molecular Weight192.20 g/mol
Exact Mass192.11
IUPAC Namefluoroethane;1-fluoro-3-(fluoromethoxy)propane;fluoromethane
SMILESCCF.CF.FCCCOCF
InChIInChI=1S/C4H8F2O.C2H5F.CH3F/c5-2-1-3-7-4-6;1-2-3;1-2/h1-4H2;2H2,1H3;1H3
InChIKeySDKIQZYGRHYCMY-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.85
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

CID 2783340
CID 2783340
CID 22005454
CID 22005454
CID 2776015
CID 2776015
CID 12700780
CID 12700780
CID 14272781
CID 14272781
CID 57242034
CID 57242034
CID 10943740
CID 10943740
CID 23236607
CID 23236607
CID 12824701
CID 12824701
CID 15458002
CID 15458002
CID 18335957
CID 18335957
CID 18965977
CID 18965977

Frequently Asked Questions

What is the IUPAC name of fluoroethane;1-fluoro-3-(fluoromethoxy)propane;fluoromethane?
The IUPAC name of fluoroethane;1-fluoro-3-(fluoromethoxy)propane;fluoromethane (CID 90892790) is fluoroethane;1-fluoro-3-(fluoromethoxy)propane;fluoromethane.
What is the SMILES notation for fluoroethane;1-fluoro-3-(fluoromethoxy)propane;fluoromethane?
The canonical SMILES for fluoroethane;1-fluoro-3-(fluoromethoxy)propane;fluoromethane is CCF.CF.FCCCOCF.
What is the InChIKey of fluoroethane;1-fluoro-3-(fluoromethoxy)propane;fluoromethane?
The InChIKey is SDKIQZYGRHYCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2O.C2H5F.CH3F/c5-2-1-3-7-4-6;1-2-3;1-2/h1-4H2;2H2,1H3;1H3.
What are the key properties of fluoroethane;1-fluoro-3-(fluoromethoxy)propane;fluoromethane?
fluoroethane;1-fluoro-3-(fluoromethoxy)propane;fluoromethane has a molecular weight of 192.20 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroethane;1-fluoro-3-(fluoromethoxy)propane;fluoromethane is sourced from PubChem (CID 90892790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).