2-(difluoromethyl)-1,1,1-trifluoro-2-methoxypentane

C7H11F5O — CID 90243214

IUPAC2-(difluoromethyl)-1,1,1-trifluoro-2-methoxypentane
SMILESCCCC(OC)(C(F)F)C(F)(F)F
InChIInChI=1S/C7H11F5O/c1-3-4-6(13-2,5(8)9)7(10,11)12/h5H,3-4H2,1-2H3
InChIKeyHEGLSWZQLUCHTD-UHFFFAOYSA-N
MW206.15 g/mol
LogP3.00
Rot. Bonds4

About 2-(difluoromethyl)-1,1,1-trifluoro-2-methoxypentane

2-(difluoromethyl)-1,1,1-trifluoro-2-methoxypentane (PubChem CID 90243214) has the molecular formula C7H11F5O and a molecular weight of 206.15 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,1,1-trifluoro-2-methoxypentane.

Molecular Properties

Compound Name2-(difluoromethyl)-1,1,1-trifluoro-2-methoxypentane
PubChem CID90243214
Molecular FormulaC7H11F5O
Molecular Weight206.15 g/mol
Exact Mass206.07
IUPAC Name2-(difluoromethyl)-1,1,1-trifluoro-2-methoxypentane
SMILESCCCC(OC)(C(F)F)C(F)(F)F
InChIInChI=1S/C7H11F5O/c1-3-4-6(13-2,5(8)9)7(10,11)12/h5H,3-4H2,1-2H3
InChIKeyHEGLSWZQLUCHTD-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,1,1-trifluoro-2-methoxypentane?
The IUPAC name of 2-(difluoromethyl)-1,1,1-trifluoro-2-methoxypentane (CID 90243214) is 2-(difluoromethyl)-1,1,1-trifluoro-2-methoxypentane.
What is the SMILES notation for 2-(difluoromethyl)-1,1,1-trifluoro-2-methoxypentane?
The canonical SMILES for 2-(difluoromethyl)-1,1,1-trifluoro-2-methoxypentane is CCCC(OC)(C(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,1,1-trifluoro-2-methoxypentane?
The InChIKey is HEGLSWZQLUCHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5O/c1-3-4-6(13-2,5(8)9)7(10,11)12/h5H,3-4H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-1,1,1-trifluoro-2-methoxypentane?
2-(difluoromethyl)-1,1,1-trifluoro-2-methoxypentane has a molecular weight of 206.15 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,1,1-trifluoro-2-methoxypentane is sourced from PubChem (CID 90243214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).