1,1,1,2,3,4,5,5,5-nonafluoro-2-methoxy-4-methyl-3-propan-2-ylpentane

C10H13F9O — CID 19761969

IUPAC1,1,1,2,3,4,5,5,5-nonafluoro-2-methoxy-4-methyl-3-propan-2-ylpentane
SMILESCOC(F)(C(F)(F)F)C(F)(C(C)C)C(C)(F)C(F)(F)F
InChIInChI=1S/C10H13F9O/c1-5(2)7(12,6(3,11)9(14,15)16)8(13,20-4)10(17,18)19/h5H,1-4H3
InChIKeyVICDCGADXJUGJV-UHFFFAOYSA-N
MW320.20 g/mol
LogP4.52
Rot. Bonds4

About 1,1,1,2,3,4,5,5,5-nonafluoro-2-methoxy-4-methyl-3-propan-2-ylpentane

1,1,1,2,3,4,5,5,5-nonafluoro-2-methoxy-4-methyl-3-propan-2-ylpentane (PubChem CID 19761969) has the molecular formula C10H13F9O and a molecular weight of 320.20 g/mol. Its IUPAC name is 1,1,1,2,3,4,5,5,5-nonafluoro-2-methoxy-4-methyl-3-propan-2-ylpentane.

Molecular Properties

Compound Name1,1,1,2,3,4,5,5,5-nonafluoro-2-methoxy-4-methyl-3-propan-2-ylpentane
PubChem CID19761969
Molecular FormulaC10H13F9O
Molecular Weight320.20 g/mol
Exact Mass320.08
IUPAC Name1,1,1,2,3,4,5,5,5-nonafluoro-2-methoxy-4-methyl-3-propan-2-ylpentane
SMILESCOC(F)(C(F)(F)F)C(F)(C(C)C)C(C)(F)C(F)(F)F
InChIInChI=1S/C10H13F9O/c1-5(2)7(12,6(3,11)9(14,15)16)8(13,20-4)10(17,18)19/h5H,1-4H3
InChIKeyVICDCGADXJUGJV-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1,2,3,4,5,5,5-nonafluoro-2-methoxy-4-methyl-3-propan-2-ylpentane with MolForge

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Related Compounds

1,1,1,2,2,3,4,5,6,6,6-Undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane
CID 19761923
2-Ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane
CID 19761925
2-Ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-methyl-3-propan-2-ylpentane
CID 19761966
1,1,1,2,2,3,4,5,5,5-Decafluoro-4-methyl-3-(3-methylbutoxy)pentane
CID 19761972
4-Ethyl-2,2,3,5,5-pentafluoro-3-(trifluoromethoxy)hexane
CID 58731925
1,1,1,3,4-Pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane
CID 59203904
3-(Difluoromethoxymethyl)-2,4-dimethylpentane
CID 59610758
2-(Difluoromethoxy)-4-methyl-3-propan-2-ylpentane
CID 59610850
2-(Difluoromethoxy)-3,4-dimethylpentane
CID 88545445
1,1,1,2,2,3,4,5,5,6-Decafluoro-3-methoxy-4-(trifluoromethyl)hexane
CID 88879973
1,1,1,2,2,3,4,6,6,6-Decafluoro-3-methoxy-4-(trifluoromethyl)hexane
CID 88879974
1,1,1,2,2,3,4,5,6,6-Decafluoro-3-methoxy-4-(trifluoromethyl)hexane
CID 88879975

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2-methoxy-4-methyl-3-propan-2-ylpentane?
The IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2-methoxy-4-methyl-3-propan-2-ylpentane (CID 19761969) is 1,1,1,2,3,4,5,5,5-nonafluoro-2-methoxy-4-methyl-3-propan-2-ylpentane.
What is the SMILES notation for 1,1,1,2,3,4,5,5,5-nonafluoro-2-methoxy-4-methyl-3-propan-2-ylpentane?
The canonical SMILES for 1,1,1,2,3,4,5,5,5-nonafluoro-2-methoxy-4-methyl-3-propan-2-ylpentane is COC(F)(C(F)(F)F)C(F)(C(C)C)C(C)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,5,5,5-nonafluoro-2-methoxy-4-methyl-3-propan-2-ylpentane?
The InChIKey is VICDCGADXJUGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F9O/c1-5(2)7(12,6(3,11)9(14,15)16)8(13,20-4)10(17,18)19/h5H,1-4H3.
What are the key properties of 1,1,1,2,3,4,5,5,5-nonafluoro-2-methoxy-4-methyl-3-propan-2-ylpentane?
1,1,1,2,3,4,5,5,5-nonafluoro-2-methoxy-4-methyl-3-propan-2-ylpentane has a molecular weight of 320.20 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,5,5,5-nonafluoro-2-methoxy-4-methyl-3-propan-2-ylpentane is sourced from PubChem (CID 19761969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).