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

C13H27F — CID 143853792

IUPAC2-fluoro-2,3,3,4,4,5,5-heptamethylhexane
SMILESCC(C)(C)C(C)(C)C(C)(C)C(C)(C)F
InChIInChI=1S/C13H27F/c1-10(2,3)11(4,5)12(6,7)13(8,9)14/h1-9H3
InChIKeyRXAAZICMOUHPII-UHFFFAOYSA-N
MW202.36 g/mol
LogP4.83
Rot. Bonds2

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

2-fluoro-2,3,3,4,4,5,5-heptamethylhexane (PubChem CID 143853792) has the molecular formula C13H27F and a molecular weight of 202.36 g/mol. Its IUPAC name is 2-fluoro-2,3,3,4,4,5,5-heptamethylhexane.

Molecular Properties

Compound Name2-fluoro-2,3,3,4,4,5,5-heptamethylhexane
PubChem CID143853792
Molecular FormulaC13H27F
Molecular Weight202.36 g/mol
Exact Mass202.21
IUPAC Name2-fluoro-2,3,3,4,4,5,5-heptamethylhexane
SMILESCC(C)(C)C(C)(C)C(C)(C)C(C)(C)F
InChIInChI=1S/C13H27F/c1-10(2,3)11(4,5)12(6,7)13(8,9)14/h1-9H3
InChIKeyRXAAZICMOUHPII-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane
CID 123795334
4,4-difluoro-2,2,3,3-tetramethylhexane
CID 59226998
1,1,1-trifluoroethane
CID 9868
1,1,1-trifluoroethane
CID 91327996
2,2-difluoropropane
CID 160894634
(1,1,1,3-tetrafluoro-2,2,4,4,5,5-hexamethylhexan-3-yl)phosphane
CID 170023682
2,2,3,3,4,4-hexafluoropentane
CID 18188371
ethane;2,2,3,3,4,4,5,5-octafluorohexane
CID 144773774
2,3-difluoro-2,3-dimethoxybutane
CID 174333179
1,1,1,2-tetrafluoro-2,3,3-trimethylbutane
CID 88943040
(1,1,2-trifluoro-2-methylpropyl)azanide
CID 151642621
1,1,1-trifluoroethane trichloride
CID 159910186

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,3,3,4,4,5,5-heptamethylhexane?
The IUPAC name of 2-fluoro-2,3,3,4,4,5,5-heptamethylhexane (CID 143853792) is 2-fluoro-2,3,3,4,4,5,5-heptamethylhexane.
What is the SMILES notation for 2-fluoro-2,3,3,4,4,5,5-heptamethylhexane?
The canonical SMILES for 2-fluoro-2,3,3,4,4,5,5-heptamethylhexane is CC(C)(C)C(C)(C)C(C)(C)C(C)(C)F.
What is the InChIKey of 2-fluoro-2,3,3,4,4,5,5-heptamethylhexane?
The InChIKey is RXAAZICMOUHPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F/c1-10(2,3)11(4,5)12(6,7)13(8,9)14/h1-9H3.
What are the key properties of 2-fluoro-2,3,3,4,4,5,5-heptamethylhexane?
2-fluoro-2,3,3,4,4,5,5-heptamethylhexane has a molecular weight of 202.36 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,3,3,4,4,5,5-heptamethylhexane is sourced from PubChem (CID 143853792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).