5-butyl-1,1,1,3,3,7,7,9,9,9-decafluorononane

C13H18F10 — CID 158240546

IUPAC5-butyl-1,1,1,3,3,7,7,9,9,9-decafluorononane
SMILESCCCCC(CC(F)(F)CC(F)(F)F)CC(F)(F)CC(F)(F)F
InChIInChI=1S/C13H18F10/c1-2-3-4-9(5-10(14,15)7-12(18,19)20)6-11(16,17)8-13(21,22)23/h9H,2-8H2,1H3
InChIKeyOXUKMUYWEVTDBV-UHFFFAOYSA-N
MW364.27 g/mol
LogP6.75
Rot. Bonds9

About 5-butyl-1,1,1,3,3,7,7,9,9,9-decafluorononane

5-butyl-1,1,1,3,3,7,7,9,9,9-decafluorononane (PubChem CID 158240546) has the molecular formula C13H18F10 and a molecular weight of 364.27 g/mol. Its IUPAC name is 5-butyl-1,1,1,3,3,7,7,9,9,9-decafluorononane.

Molecular Properties

Compound Name5-butyl-1,1,1,3,3,7,7,9,9,9-decafluorononane
PubChem CID158240546
Molecular FormulaC13H18F10
Molecular Weight364.27 g/mol
Exact Mass364.12
IUPAC Name5-butyl-1,1,1,3,3,7,7,9,9,9-decafluorononane
SMILESCCCCC(CC(F)(F)CC(F)(F)F)CC(F)(F)CC(F)(F)F
InChIInChI=1S/C13H18F10/c1-2-3-4-9(5-10(14,15)7-12(18,19)20)6-11(16,17)8-13(21,22)23/h9H,2-8H2,1H3
InChIKeyOXUKMUYWEVTDBV-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.27
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1,3,3,7,7,9,9,9-decafluoro-5-propylnonane
CID 159243548
4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane
CID 58901248
7-(3,3,3-trifluoropropyl)tridecane
CID 126695367
N-methylmethanimine;1,1,1,3,3-pentafluoroheptane
CID 156799901
3,3-difluoro-5-methylnonane
CID 165405619
5-butyl-3,3-dimethylnonane
CID 123518865
13-butyldotriacontane
CID 91613083
14-butylheptatriacontane
CID 91361474
6-butylhenicosane
CID 91802566
methane;4-propyloctane
CID 160687994
16-butylhentriacontane
CID 91509035
azane;5-butyldecane
CID 118324151

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1,1,1,3,3,7,7,9,9,9-decafluorononane?
The IUPAC name of 5-butyl-1,1,1,3,3,7,7,9,9,9-decafluorononane (CID 158240546) is 5-butyl-1,1,1,3,3,7,7,9,9,9-decafluorononane.
What is the SMILES notation for 5-butyl-1,1,1,3,3,7,7,9,9,9-decafluorononane?
The canonical SMILES for 5-butyl-1,1,1,3,3,7,7,9,9,9-decafluorononane is CCCCC(CC(F)(F)CC(F)(F)F)CC(F)(F)CC(F)(F)F.
What is the InChIKey of 5-butyl-1,1,1,3,3,7,7,9,9,9-decafluorononane?
The InChIKey is OXUKMUYWEVTDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F10/c1-2-3-4-9(5-10(14,15)7-12(18,19)20)6-11(16,17)8-13(21,22)23/h9H,2-8H2,1H3.
What are the key properties of 5-butyl-1,1,1,3,3,7,7,9,9,9-decafluorononane?
5-butyl-1,1,1,3,3,7,7,9,9,9-decafluorononane has a molecular weight of 364.27 g/mol, XLogP of 6.75, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1,1,1,3,3,7,7,9,9,9-decafluorononane is sourced from PubChem (CID 158240546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).