3-(difluoromethoxymethyl)pentane

C7H14F2O — CID 88872621

IUPAC3-(difluoromethoxymethyl)pentane
SMILESCCC(CC)COC(F)F
InChIInChI=1S/C7H14F2O/c1-3-6(4-2)5-10-7(8)9/h6-7H,3-5H2,1-2H3
InChIKeyJVIABVLGZKLHJD-UHFFFAOYSA-N
MW152.18 g/mol
LogP2.66
Rot. Bonds5

About 3-(difluoromethoxymethyl)pentane

3-(difluoromethoxymethyl)pentane (PubChem CID 88872621) has the molecular formula C7H14F2O and a molecular weight of 152.18 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)pentane.

Molecular Properties

Compound Name3-(difluoromethoxymethyl)pentane
PubChem CID88872621
Molecular FormulaC7H14F2O
Molecular Weight152.18 g/mol
Exact Mass152.10
IUPAC Name3-(difluoromethoxymethyl)pentane
SMILESCCC(CC)COC(F)F
InChIInChI=1S/C7H14F2O/c1-3-6(4-2)5-10-7(8)9/h6-7H,3-5H2,1-2H3
InChIKeyJVIABVLGZKLHJD-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Ethoxy-1,2,2-trifluoro-3-methylbutane
CID 15507745
1,1,1-Trifluoro-4-methoxy-2-(methoxymethyl)butane
CID 20641211
1-Ethoxy-1,1-difluoro-2-methylbutane
CID 20802235
2-Methyl-1-(3,3,3-trifluoropropoxy)butane
CID 21657872
2-(Ethoxymethyl)-1,1,1-trifluorobutane
CID 22002892
1,1-Difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane
CID 22084403
3-Methyl-1-(1,2,2-trifluoroethenoxy)butane
CID 22119356
1,1,1-Trifluoro-2-methoxy-4-methylpentane
CID 23395519
1,1,1-Trifluoro-4-methoxy-2-methylbutane
CID 54079436
1,1,1-Trifluoro-5-methoxy-2-methylpentane
CID 54079437
4-Ethoxy-1,1,1-trifluoro-2-methanidylbutane;rutherfordium
CID 58219982
1-(2,2-Difluoroethoxy)-3-methylbutane
CID 58853917

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxymethyl)pentane?
The IUPAC name of 3-(difluoromethoxymethyl)pentane (CID 88872621) is 3-(difluoromethoxymethyl)pentane.
What is the SMILES notation for 3-(difluoromethoxymethyl)pentane?
The canonical SMILES for 3-(difluoromethoxymethyl)pentane is CCC(CC)COC(F)F.
What is the InChIKey of 3-(difluoromethoxymethyl)pentane?
The InChIKey is JVIABVLGZKLHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O/c1-3-6(4-2)5-10-7(8)9/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-(difluoromethoxymethyl)pentane?
3-(difluoromethoxymethyl)pentane has a molecular weight of 152.18 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxymethyl)pentane is sourced from PubChem (CID 88872621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).