3,3-difluoro-2,2,5-trimethylhexane

C9H18F2 — CID 90268421

IUPAC3,3-difluoro-2,2,5-trimethylhexane
SMILESCC(C)CC(F)(F)C(C)(C)C
InChIInChI=1S/C9H18F2/c1-7(2)6-9(10,11)8(3,4)5/h7H,6H2,1-5H3
InChIKeyNIDRNEGMKSHUJH-UHFFFAOYSA-N
MW164.24 g/mol
LogP3.71
Rot. Bonds2

About 3,3-difluoro-2,2,5-trimethylhexane

3,3-difluoro-2,2,5-trimethylhexane (PubChem CID 90268421) has the molecular formula C9H18F2 and a molecular weight of 164.24 g/mol. Its IUPAC name is 3,3-difluoro-2,2,5-trimethylhexane.

Molecular Properties

Compound Name3,3-difluoro-2,2,5-trimethylhexane
PubChem CID90268421
Molecular FormulaC9H18F2
Molecular Weight164.24 g/mol
Exact Mass164.14
IUPAC Name3,3-difluoro-2,2,5-trimethylhexane
SMILESCC(C)CC(F)(F)C(C)(C)C
InChIInChI=1S/C9H18F2/c1-7(2)6-9(10,11)8(3,4)5/h7H,6H2,1-5H3
InChIKeyNIDRNEGMKSHUJH-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,4-difluoro-N,5,5-trimethylhexan-2-amine
CID 105438278
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-methyltridecane
CID 59685379
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19-nonatriacontafluoro-21-methyldocosane
CID 58527537
2,2-difluoro-3,3,5-trimethylhexane
CID 157101108
4-tert-butyl-2,4,6-trimethylheptane
CID 57493093
(2-fluoro-4-methylpentan-2-yl)sulfamic acid
CID 57146683
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-methyltridecane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-hentriacontafluoro-17-methyloctadecane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-heptacosafluoro-15-methylhexadecane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-methylundecane;1,1,1,2,2,3,3-heptafluoro-5-methylhexane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-nonacosafluoro-16-methylheptadecane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-11-methyldodecane;1,1,1,2,2,3,3,4,4-nonafluoro-6-methylheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoro-14-methylpentadecane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-methyldecane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-tricosafluorotridecane;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylnonane;1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-methyloctane
CID 157372660
CID 174450797
CID 174450797
1,1,1,2,2,4,4,6,6,8,8,10,10-tridecafluoro-12-methyltridecane
CID 58100020
1,1-difluoro-2,4-dimethylpentan-2-ol
CID 80605708
3-tert-butyl-3,5-dimethylhexane-2,2-diol
CID 89484377
2,4-dimethyl-2-(trifluoromethyl)pentanoic acid
CID 83831473

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2,5-trimethylhexane?
The IUPAC name of 3,3-difluoro-2,2,5-trimethylhexane (CID 90268421) is 3,3-difluoro-2,2,5-trimethylhexane.
What is the SMILES notation for 3,3-difluoro-2,2,5-trimethylhexane?
The canonical SMILES for 3,3-difluoro-2,2,5-trimethylhexane is CC(C)CC(F)(F)C(C)(C)C.
What is the InChIKey of 3,3-difluoro-2,2,5-trimethylhexane?
The InChIKey is NIDRNEGMKSHUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2/c1-7(2)6-9(10,11)8(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 3,3-difluoro-2,2,5-trimethylhexane?
3,3-difluoro-2,2,5-trimethylhexane has a molecular weight of 164.24 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2,5-trimethylhexane is sourced from PubChem (CID 90268421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).