3-fluoro-2,2,3,4,4,5,5-heptamethylhexane

C13H27F — CID 20714203

IUPAC3-fluoro-2,2,3,4,4,5,5-heptamethylhexane
SMILESCC(C)(C)C(C)(C)C(C)(F)C(C)(C)C
InChIInChI=1S/C13H27F/c1-10(2,3)12(7,8)13(9,14)11(4,5)6/h1-9H3
InChIKeyDQNWESOQNFHOCX-UHFFFAOYSA-N
MW202.36 g/mol
LogP4.83
Rot. Bonds1

About 3-fluoro-2,2,3,4,4,5,5-heptamethylhexane

3-fluoro-2,2,3,4,4,5,5-heptamethylhexane (PubChem CID 20714203) has the molecular formula C13H27F and a molecular weight of 202.36 g/mol. Its IUPAC name is 3-fluoro-2,2,3,4,4,5,5-heptamethylhexane.

Molecular Properties

Compound Name3-fluoro-2,2,3,4,4,5,5-heptamethylhexane
PubChem CID20714203
Molecular FormulaC13H27F
Molecular Weight202.36 g/mol
Exact Mass202.21
IUPAC Name3-fluoro-2,2,3,4,4,5,5-heptamethylhexane
SMILESCC(C)(C)C(C)(C)C(C)(F)C(C)(C)C
InChIInChI=1S/C13H27F/c1-10(2,3)12(7,8)13(9,14)11(4,5)6/h1-9H3
InChIKeyDQNWESOQNFHOCX-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2,3,4,4,5,5-heptamethylhexane?
The IUPAC name of 3-fluoro-2,2,3,4,4,5,5-heptamethylhexane (CID 20714203) is 3-fluoro-2,2,3,4,4,5,5-heptamethylhexane.
What is the SMILES notation for 3-fluoro-2,2,3,4,4,5,5-heptamethylhexane?
The canonical SMILES for 3-fluoro-2,2,3,4,4,5,5-heptamethylhexane is CC(C)(C)C(C)(C)C(C)(F)C(C)(C)C.
What is the InChIKey of 3-fluoro-2,2,3,4,4,5,5-heptamethylhexane?
The InChIKey is DQNWESOQNFHOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F/c1-10(2,3)12(7,8)13(9,14)11(4,5)6/h1-9H3.
What are the key properties of 3-fluoro-2,2,3,4,4,5,5-heptamethylhexane?
3-fluoro-2,2,3,4,4,5,5-heptamethylhexane has a molecular weight of 202.36 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2,3,4,4,5,5-heptamethylhexane is sourced from PubChem (CID 20714203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).