1,1,1,2,6-pentafluoro-2,6-dimethyl-4-propylheptane

C12H21F5 — CID 87159283

IUPAC1,1,1,2,6-pentafluoro-2,6-dimethyl-4-propylheptane
SMILESCCCC(CC(C)(C)F)CC(C)(F)C(F)(F)F
InChIInChI=1S/C12H21F5/c1-5-6-9(7-10(2,3)13)8-11(4,14)12(15,16)17/h9H,5-8H2,1-4H3
InChIKeyHYLQVTGZGUREFW-UHFFFAOYSA-N
MW260.29 g/mol
LogP5.22
Rot. Bonds6

About 1,1,1,2,6-pentafluoro-2,6-dimethyl-4-propylheptane

1,1,1,2,6-pentafluoro-2,6-dimethyl-4-propylheptane (PubChem CID 87159283) has the molecular formula C12H21F5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1,1,1,2,6-pentafluoro-2,6-dimethyl-4-propylheptane.

Molecular Properties

Compound Name1,1,1,2,6-pentafluoro-2,6-dimethyl-4-propylheptane
PubChem CID87159283
Molecular FormulaC12H21F5
Molecular Weight260.29 g/mol
Exact Mass260.16
IUPAC Name1,1,1,2,6-pentafluoro-2,6-dimethyl-4-propylheptane
SMILESCCCC(CC(C)(C)F)CC(C)(F)C(F)(F)F
InChIInChI=1S/C12H21F5/c1-5-6-9(7-10(2,3)13)8-11(4,14)12(15,16)17/h9H,5-8H2,1-4H3
InChIKeyHYLQVTGZGUREFW-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.29
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2,6,6-tetramethyl-4-propylheptane
CID 57492954
1,1,1,3,3,7,7,9,9,9-decafluoro-5-propylnonane
CID 159243548
3-(chloromethyl)-1,1,1-trifluorohexane
CID 165443455
5-ethyl-2,2-difluorooctane
CID 144565046
4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane
CID 58901248
1,1,1,2,9-pentafluoro-2,4,9-trimethyldecane
CID 87159144
4-(2-fluoropropan-2-yl)heptane
CID 143311381
4,4-dimethyl-2-propylpentan-1-ol
CID 87272554
1,1,1-trifluoro-5-(2-iodoethyl)-2-(trifluoromethyl)octane
CID 154402207
6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene
CID 58901154
6,7,7,7-tetrafluoro-6-methyl-4-(trifluoromethyl)heptan-1-ol
CID 59689373
3-ethyl-2,2-difluorohexane
CID 155700319

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,6-pentafluoro-2,6-dimethyl-4-propylheptane?
The IUPAC name of 1,1,1,2,6-pentafluoro-2,6-dimethyl-4-propylheptane (CID 87159283) is 1,1,1,2,6-pentafluoro-2,6-dimethyl-4-propylheptane.
What is the SMILES notation for 1,1,1,2,6-pentafluoro-2,6-dimethyl-4-propylheptane?
The canonical SMILES for 1,1,1,2,6-pentafluoro-2,6-dimethyl-4-propylheptane is CCCC(CC(C)(C)F)CC(C)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,6-pentafluoro-2,6-dimethyl-4-propylheptane?
The InChIKey is HYLQVTGZGUREFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F5/c1-5-6-9(7-10(2,3)13)8-11(4,14)12(15,16)17/h9H,5-8H2,1-4H3.
What are the key properties of 1,1,1,2,6-pentafluoro-2,6-dimethyl-4-propylheptane?
1,1,1,2,6-pentafluoro-2,6-dimethyl-4-propylheptane has a molecular weight of 260.29 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,6-pentafluoro-2,6-dimethyl-4-propylheptane is sourced from PubChem (CID 87159283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).