1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane

C12H20F6 — CID 162503519

IUPAC1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane
SMILESCC(C)C(CCCC(F)(F)F)CCCC(F)(F)F
InChIInChI=1S/C12H20F6/c1-9(2)10(5-3-7-11(13,14)15)6-4-8-12(16,17)18/h9-10H,3-8H2,1-2H3
InChIKeyCOOAACGOVGIZBD-UHFFFAOYSA-N
MW278.28 g/mol
LogP5.72
Rot. Bonds7

About 1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane

1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane (PubChem CID 162503519) has the molecular formula C12H20F6 and a molecular weight of 278.28 g/mol. Its IUPAC name is 1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane.

Molecular Properties

Compound Name1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane
PubChem CID162503519
Molecular FormulaC12H20F6
Molecular Weight278.28 g/mol
Exact Mass278.15
IUPAC Name1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane
SMILESCC(C)C(CCCC(F)(F)F)CCCC(F)(F)F
InChIInChI=1S/C12H20F6/c1-9(2)10(5-3-7-11(13,14)15)6-4-8-12(16,17)18/h9-10H,3-8H2,1-2H3
InChIKeyCOOAACGOVGIZBD-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.28
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine
CID 115520311
1,1,1-trifluoro-6,7-dimethyloctane
CID 162600398
1,1,1-trifluoro-5-(1-iodoethyl)undecane
CID 142693981
6,6,6-trifluoro-2-methylhexan-3-ol
CID 64566136
7,7,7-trifluoro-3-propan-2-ylheptan-2-one
CID 115514587
N-ethyl-7,7,7-trifluoro-2-methylheptan-3-amine
CID 115516397
7,7,7-trifluoro-3-methylheptan-1-amine
CID 116536083
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
6,6,6-trifluoro-N,2-dimethylhexan-1-amine
CID 116536282
1,1,1,7,7,7-hexafluoro-2-methylheptane
CID 175563823
2-tert-butyl-6,6,6-trifluorohexanoic acid
CID 83137658
6-bromo-1,1,1-trifluoro-5-methyloctane
CID 116536314

Frequently Asked Questions

What is the IUPAC name of 1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane?
The IUPAC name of 1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane (CID 162503519) is 1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane.
What is the SMILES notation for 1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane?
The canonical SMILES for 1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane is CC(C)C(CCCC(F)(F)F)CCCC(F)(F)F.
What is the InChIKey of 1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane?
The InChIKey is COOAACGOVGIZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F6/c1-9(2)10(5-3-7-11(13,14)15)6-4-8-12(16,17)18/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane?
1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane has a molecular weight of 278.28 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane is sourced from PubChem (CID 162503519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).