2,2-dimethylnonane;fluoromethane

C12H27F — CID 158057771

IUPAC2,2-dimethylnonane;fluoromethane
SMILESCCCCCCCC(C)(C)C.CF
InChIInChI=1S/C11H24.CH3F/c1-5-6-7-8-9-10-11(2,3)4;1-2/h5-10H2,1-4H3;1H3
InChIKeyFKGUTUIMYHLKSA-UHFFFAOYSA-N
MW190.35 g/mol
LogP4.98
Rot. Bonds5

About 2,2-dimethylnonane;fluoromethane

2,2-dimethylnonane;fluoromethane (PubChem CID 158057771) has the molecular formula C12H27F and a molecular weight of 190.35 g/mol. Its IUPAC name is 2,2-dimethylnonane;fluoromethane.

Molecular Properties

Compound Name2,2-dimethylnonane;fluoromethane
PubChem CID158057771
Molecular FormulaC12H27F
Molecular Weight190.35 g/mol
Exact Mass190.21
IUPAC Name2,2-dimethylnonane;fluoromethane
SMILESCCCCCCCC(C)(C)C.CF
InChIInChI=1S/C11H24.CH3F/c1-5-6-7-8-9-10-11(2,3)4;1-2/h5-10H2,1-4H3;1H3
InChIKeyFKGUTUIMYHLKSA-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 158610214
dichlorozinc;2,2-dimethyloctane
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2,2-dimethylhexane
CID 169424592
(Z)-2,2-dimethylnonadec-7-ene
CID 176613705
1-(5,5-dimethylhexoxy)octadecane
CID 172523117
2,2,22,22-tetramethyl-12-nonyltricosane
CID 150859167
18,18-dimethyl-N-octadecylnonadecan-1-amine
CID 154404952
azane;2,2-dimethylhexane
CID 161105081
N-hexadecyl-18,18-dimethylnonadecan-1-amine;hydrochloride
CID 173196630
N-(12,12-dimethyltridecyl)hexadecan-1-amine;hydrobromide
CID 174728206

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylnonane;fluoromethane?
The IUPAC name of 2,2-dimethylnonane;fluoromethane (CID 158057771) is 2,2-dimethylnonane;fluoromethane.
What is the SMILES notation for 2,2-dimethylnonane;fluoromethane?
The canonical SMILES for 2,2-dimethylnonane;fluoromethane is CCCCCCCC(C)(C)C.CF.
What is the InChIKey of 2,2-dimethylnonane;fluoromethane?
The InChIKey is FKGUTUIMYHLKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.CH3F/c1-5-6-7-8-9-10-11(2,3)4;1-2/h5-10H2,1-4H3;1H3.
What are the key properties of 2,2-dimethylnonane;fluoromethane?
2,2-dimethylnonane;fluoromethane has a molecular weight of 190.35 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylnonane;fluoromethane is sourced from PubChem (CID 158057771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).