2-butan-2-yloxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane

C10H10F12O — CID 88866016

IUPAC2-butan-2-yloxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
SMILESCCC(C)OC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F12O/c1-3-4(2)23-7(13,10(20,21)22)5(11)6(12,8(14,15)16)9(17,18)19/h4-5H,3H2,1-2H3
InChIKeyGDKSNHVESPIRIC-UHFFFAOYSA-N
MW374.17 g/mol
LogP5.20
Rot. Bonds5

About 2-butan-2-yloxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane

2-butan-2-yloxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane (PubChem CID 88866016) has the molecular formula C10H10F12O and a molecular weight of 374.17 g/mol. Its IUPAC name is 2-butan-2-yloxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name2-butan-2-yloxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
PubChem CID88866016
Molecular FormulaC10H10F12O
Molecular Weight374.17 g/mol
Exact Mass374.05
IUPAC Name2-butan-2-yloxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
SMILESCCC(C)OC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F12O/c1-3-4(2)23-7(13,10(20,21)22)5(11)6(12,8(14,15)16)9(17,18)19/h4-5H,3H2,1-2H3
InChIKeyGDKSNHVESPIRIC-UHFFFAOYSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.17
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-butan-2-yloxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane with MolForge

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Related Compounds

3-Ethoxyperfluoro(2-methylhexane)
CID 2782436
1,1,1,2,3,3-Hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane
CID 71405907
Hexafluorisopropylmethylather
CID 129635123
1-Fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane
CID 10584237
2-Fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 10798148
2-Butoxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane
CID 12713814
4-Ethoxy-1,1,1,2,3,3-hexafluoropentane
CID 13271509
1,1,1,2,3,3-Hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane
CID 13271511
[1,1,1-Trifluoro-2-(trifluoromethyl)pentan-2-yl]oxycyclopentane
CID 13709899
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-propoxy-4-(trifluoromethyl)pentane
CID 15006619
1,1,1,2,2-Pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yloxy)pentane
CID 18760919
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-methyl-4-propan-2-yloxypentane
CID 19761914

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane?
The IUPAC name of 2-butan-2-yloxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane (CID 88866016) is 2-butan-2-yloxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane.
What is the SMILES notation for 2-butan-2-yloxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane?
The canonical SMILES for 2-butan-2-yloxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane is CCC(C)OC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-butan-2-yloxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane?
The InChIKey is GDKSNHVESPIRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F12O/c1-3-4(2)23-7(13,10(20,21)22)5(11)6(12,8(14,15)16)9(17,18)19/h4-5H,3H2,1-2H3.
What are the key properties of 2-butan-2-yloxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane?
2-butan-2-yloxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane has a molecular weight of 374.17 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane is sourced from PubChem (CID 88866016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).