2,4-difluoro-3-methoxypentane

C6H12F2O — CID 54166532

IUPAC2,4-difluoro-3-methoxypentane
SMILESCOC(C(C)F)C(C)F
InChIInChI=1S/C6H12F2O/c1-4(7)6(9-3)5(2)8/h4-6H,1-3H3
InChIKeyOSAMCVXZNBTYJT-UHFFFAOYSA-N
MW138.16 g/mol
LogP1.72
Rot. Bonds3

About 2,4-difluoro-3-methoxypentane

2,4-difluoro-3-methoxypentane (PubChem CID 54166532) has the molecular formula C6H12F2O and a molecular weight of 138.16 g/mol. Its IUPAC name is 2,4-difluoro-3-methoxypentane.

Molecular Properties

Compound Name2,4-difluoro-3-methoxypentane
PubChem CID54166532
Molecular FormulaC6H12F2O
Molecular Weight138.16 g/mol
Exact Mass138.09
IUPAC Name2,4-difluoro-3-methoxypentane
SMILESCOC(C(C)F)C(C)F
InChIInChI=1S/C6H12F2O/c1-4(7)6(9-3)5(2)8/h4-6H,1-3H3
InChIKeyOSAMCVXZNBTYJT-UHFFFAOYSA-N
XLogP1.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methoxypentane
CID 37545
Difluormethyl-ather
CID 10464348
2-(Trifluoromethoxy)propane
CID 21068678
Isopropyl fluoromethyl ether
CID 21954138
1,1,1-Trifluoro-2-methoxy-propane
CID 22022770
2-Ethoxy-1,1,1-trifluoropropane
CID 53966619
2-(2,2,2-Trifluoroethoxy)butane
CID 14024100
2-(Difluoromethoxy)propane
CID 14400534
2-(1,1,2-Trifluoroethoxy)propane
CID 11159370
3-(Fluoromethoxy)hexane
CID 18724441
1,1,1-Trifluoro-2-propan-2-yloxypropane
CID 20612573
2-(1,1,1-Trifluoropropan-2-yloxy)butane
CID 20612575

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-methoxypentane?
The IUPAC name of 2,4-difluoro-3-methoxypentane (CID 54166532) is 2,4-difluoro-3-methoxypentane.
What is the SMILES notation for 2,4-difluoro-3-methoxypentane?
The canonical SMILES for 2,4-difluoro-3-methoxypentane is COC(C(C)F)C(C)F.
What is the InChIKey of 2,4-difluoro-3-methoxypentane?
The InChIKey is OSAMCVXZNBTYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O/c1-4(7)6(9-3)5(2)8/h4-6H,1-3H3.
What are the key properties of 2,4-difluoro-3-methoxypentane?
2,4-difluoro-3-methoxypentane has a molecular weight of 138.16 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-methoxypentane is sourced from PubChem (CID 54166532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).