fluoromethane;1,1,1-trifluoro-2-methoxypentane

C7H14F4O — CID 91097806

IUPACfluoromethane;1,1,1-trifluoro-2-methoxypentane
SMILESCCCC(OC)C(F)(F)F.CF
InChIInChI=1S/C6H11F3O.CH3F/c1-3-4-5(10-2)6(7,8)9;1-2/h5H,3-4H2,1-2H3;1H3
InChIKeyHWEZLCMRGBNAIL-UHFFFAOYSA-N
MW190.18 g/mol
LogP2.95
Rot. Bonds3

About fluoromethane;1,1,1-trifluoro-2-methoxypentane

fluoromethane;1,1,1-trifluoro-2-methoxypentane (PubChem CID 91097806) has the molecular formula C7H14F4O and a molecular weight of 190.18 g/mol. Its IUPAC name is fluoromethane;1,1,1-trifluoro-2-methoxypentane.

Molecular Properties

Compound Namefluoromethane;1,1,1-trifluoro-2-methoxypentane
PubChem CID91097806
Molecular FormulaC7H14F4O
Molecular Weight190.18 g/mol
Exact Mass190.10
IUPAC Namefluoromethane;1,1,1-trifluoro-2-methoxypentane
SMILESCCCC(OC)C(F)(F)F.CF
InChIInChI=1S/C6H11F3O.CH3F/c1-3-4-5(10-2)6(7,8)9;1-2/h5H,3-4H2,1-2H3;1H3
InChIKeyHWEZLCMRGBNAIL-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of fluoromethane;1,1,1-trifluoro-2-methoxypentane?
The IUPAC name of fluoromethane;1,1,1-trifluoro-2-methoxypentane (CID 91097806) is fluoromethane;1,1,1-trifluoro-2-methoxypentane.
What is the SMILES notation for fluoromethane;1,1,1-trifluoro-2-methoxypentane?
The canonical SMILES for fluoromethane;1,1,1-trifluoro-2-methoxypentane is CCCC(OC)C(F)(F)F.CF.
What is the InChIKey of fluoromethane;1,1,1-trifluoro-2-methoxypentane?
The InChIKey is HWEZLCMRGBNAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O.CH3F/c1-3-4-5(10-2)6(7,8)9;1-2/h5H,3-4H2,1-2H3;1H3.
What are the key properties of fluoromethane;1,1,1-trifluoro-2-methoxypentane?
fluoromethane;1,1,1-trifluoro-2-methoxypentane has a molecular weight of 190.18 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1,1,1-trifluoro-2-methoxypentane is sourced from PubChem (CID 91097806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).