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

C7H4F12 — CID 54544362

IUPAC1,1,1,2,3,4,5,5,5-nonafluoro-2-methyl-4-(trifluoromethyl)pentane
SMILESCC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H4F12/c1-3(9,5(11,12)13)2(8)4(10,6(14,15)16)7(17,18)19/h2H,1H3
InChIKeyBPZUXEWKXBNFCY-UHFFFAOYSA-N
MW316.09 g/mol
LogP4.45
Rot. Bonds2

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

1,1,1,2,3,4,5,5,5-nonafluoro-2-methyl-4-(trifluoromethyl)pentane (PubChem CID 54544362) has the molecular formula C7H4F12 and a molecular weight of 316.09 g/mol. Its IUPAC name is 1,1,1,2,3,4,5,5,5-nonafluoro-2-methyl-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,3,4,5,5,5-nonafluoro-2-methyl-4-(trifluoromethyl)pentane
PubChem CID54544362
Molecular FormulaC7H4F12
Molecular Weight316.09 g/mol
Exact Mass316.01
IUPAC Name1,1,1,2,3,4,5,5,5-nonafluoro-2-methyl-4-(trifluoromethyl)pentane
SMILESCC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H4F12/c1-3(9,5(11,12)13)2(8)4(10,6(14,15)16)7(17,18)19/h2H,1H3
InChIKeyBPZUXEWKXBNFCY-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.09
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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

Launch Full Analysis

Related Compounds

1,1,1,2,3,4-hexafluoro-2-methyl-4-(trifluoromethyl)heptane
CID 158078456
1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane
CID 86215913
methane;1,1,1,2-tetrafluoro-2,3-dimethylbutane
CID 158961607
ethane;heptane;1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pentane
CID 54056623
1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane
CID 91322713
1,1,1,2,3,4-hexafluoro-2,4-bis(trifluoromethyl)hexane;uranium
CID 159746826
methane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane
CID 161018111
1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane
CID 88558617
1,1,1,2,3,3,4,4-octafluoropentane
CID 12829393
1,1,1-trifluoroethane
CID 9868
1,1,1-trifluoroethane
CID 91327996
2,2-difluoropropane
CID 160894634

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2-methyl-4-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2-methyl-4-(trifluoromethyl)pentane (CID 54544362) is 1,1,1,2,3,4,5,5,5-nonafluoro-2-methyl-4-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,3,4,5,5,5-nonafluoro-2-methyl-4-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,3,4,5,5,5-nonafluoro-2-methyl-4-(trifluoromethyl)pentane is CC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,5,5,5-nonafluoro-2-methyl-4-(trifluoromethyl)pentane?
The InChIKey is BPZUXEWKXBNFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F12/c1-3(9,5(11,12)13)2(8)4(10,6(14,15)16)7(17,18)19/h2H,1H3.
What are the key properties of 1,1,1,2,3,4,5,5,5-nonafluoro-2-methyl-4-(trifluoromethyl)pentane?
1,1,1,2,3,4,5,5,5-nonafluoro-2-methyl-4-(trifluoromethyl)pentane has a molecular weight of 316.09 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,5,5,5-nonafluoro-2-methyl-4-(trifluoromethyl)pentane is sourced from PubChem (CID 54544362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).