2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;1-methoxy-2-methylpropane;2-methylbutane

C26H57F5O — CID 159764170

IUPAC2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;1-methoxy-2-methylpropane;2-methylbutane
SMILESCC(C)C(F)F.CC(C)CC(C)(F)F.CC(C)CC(C)F.CCC(C)C.COCC(C)C
InChIInChI=1S/C6H12F2.C6H13F.C5H12O.C5H12.C4H8F2/c1-5(2)4-6(3,7)8;1-5(2)4-6(3)7;1-5(2)4-6-3;1-4-5(2)3;1-3(2)4(5)6/h5H,4H2,1-3H3;5-6H,4H2,1-3H3;5H,4H2,1-3H3;5H,4H2,1-3H3;3-4H,1-2H3
InChIKeyNFGYXQHKGRYRFJ-UHFFFAOYSA-N
MW480.73 g/mol
LogP10.33
Rot. Bonds8

About 2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;1-methoxy-2-methylpropane;2-methylbutane

2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;1-methoxy-2-methylpropane;2-methylbutane (PubChem CID 159764170) has the molecular formula C26H57F5O and a molecular weight of 480.73 g/mol. Its IUPAC name is 2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;1-methoxy-2-methylpropane;2-methylbutane.

Molecular Properties

Compound Name2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;1-methoxy-2-methylpropane;2-methylbutane
PubChem CID159764170
Molecular FormulaC26H57F5O
Molecular Weight480.73 g/mol
Exact Mass480.43
IUPAC Name2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;1-methoxy-2-methylpropane;2-methylbutane
SMILESCC(C)C(F)F.CC(C)CC(C)(F)F.CC(C)CC(C)F.CCC(C)C.COCC(C)C
InChIInChI=1S/C6H12F2.C6H13F.C5H12O.C5H12.C4H8F2/c1-5(2)4-6(3,7)8;1-5(2)4-6(3)7;1-5(2)4-6-3;1-4-5(2)3;1-3(2)4(5)6/h5H,4H2,1-3H3;5-6H,4H2,1-3H3;5H,4H2,1-3H3;5H,4H2,1-3H3;3-4H,1-2H3
InChIKeyNFGYXQHKGRYRFJ-UHFFFAOYSA-N
XLogP10.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.73
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;1-methoxy-2-methylpropane;2-methylbutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;1-methoxy-2-methylpropane;2-methylbutane?
The IUPAC name of 2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;1-methoxy-2-methylpropane;2-methylbutane (CID 159764170) is 2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;1-methoxy-2-methylpropane;2-methylbutane.
What is the SMILES notation for 2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;1-methoxy-2-methylpropane;2-methylbutane?
The canonical SMILES for 2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;1-methoxy-2-methylpropane;2-methylbutane is CC(C)C(F)F.CC(C)CC(C)(F)F.CC(C)CC(C)F.CCC(C)C.COCC(C)C.
What is the InChIKey of 2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;1-methoxy-2-methylpropane;2-methylbutane?
The InChIKey is NFGYXQHKGRYRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2.C6H13F.C5H12O.C5H12.C4H8F2/c1-5(2)4-6(3,7)8;1-5(2)4-6(3)7;1-5(2)4-6-3;1-4-5(2)3;1-3(2)4(5)6/h5H,4H2,1-3H3;5-6H,4H2,1-3H3;5H,4H2,1-3H3;5H,4H2,1-3H3;3-4H,1-2H3.
What are the key properties of 2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;1-methoxy-2-methylpropane;2-methylbutane?
2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;1-methoxy-2-methylpropane;2-methylbutane has a molecular weight of 480.73 g/mol, XLogP of 10.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;1-methoxy-2-methylpropane;2-methylbutane is sourced from PubChem (CID 159764170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).