1,1,1-trifluoro-4-methyldecane

C11H21F3 — CID 147899191

IUPAC1,1,1-trifluoro-4-methyldecane
SMILESCCCCCCC(C)CCC(F)(F)F
InChIInChI=1S/C11H21F3/c1-3-4-5-6-7-10(2)8-9-11(12,13)14/h10H,3-9H2,1-2H3
InChIKeyIDXWXZCGRYQOKE-UHFFFAOYSA-N
MW210.28 g/mol
LogP4.94
Rot. Bonds7

About 1,1,1-trifluoro-4-methyldecane

1,1,1-trifluoro-4-methyldecane (PubChem CID 147899191) has the molecular formula C11H21F3 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methyldecane.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methyldecane
PubChem CID147899191
Molecular FormulaC11H21F3
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name1,1,1-trifluoro-4-methyldecane
SMILESCCCCCCC(C)CCC(F)(F)F
InChIInChI=1S/C11H21F3/c1-3-4-5-6-7-10(2)8-9-11(12,13)14/h10H,3-9H2,1-2H3
InChIKeyIDXWXZCGRYQOKE-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 54.94
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

6-methyloctacosane
CID 22223942
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methyldecane?
The IUPAC name of 1,1,1-trifluoro-4-methyldecane (CID 147899191) is 1,1,1-trifluoro-4-methyldecane.
What is the SMILES notation for 1,1,1-trifluoro-4-methyldecane?
The canonical SMILES for 1,1,1-trifluoro-4-methyldecane is CCCCCCC(C)CCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methyldecane?
The InChIKey is IDXWXZCGRYQOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3/c1-3-4-5-6-7-10(2)8-9-11(12,13)14/h10H,3-9H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-4-methyldecane?
1,1,1-trifluoro-4-methyldecane has a molecular weight of 210.28 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methyldecane is sourced from PubChem (CID 147899191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).