1,1,1-trifluoro-6,7-dimethyloctane

C10H19F3 — CID 162600398

IUPAC1,1,1-trifluoro-6,7-dimethyloctane
SMILESCC(C)C(C)CCCCC(F)(F)F
InChIInChI=1S/C10H19F3/c1-8(2)9(3)6-4-5-7-10(11,12)13/h8-9H,4-7H2,1-3H3
InChIKeyXDFQCQOXSWJFJM-UHFFFAOYSA-N
MW196.26 g/mol
LogP4.40
Rot. Bonds5

About 1,1,1-trifluoro-6,7-dimethyloctane

1,1,1-trifluoro-6,7-dimethyloctane (PubChem CID 162600398) has the molecular formula C10H19F3 and a molecular weight of 196.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-6,7-dimethyloctane.

Molecular Properties

Compound Name1,1,1-trifluoro-6,7-dimethyloctane
PubChem CID162600398
Molecular FormulaC10H19F3
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC Name1,1,1-trifluoro-6,7-dimethyloctane
SMILESCC(C)C(C)CCCCC(F)(F)F
InChIInChI=1S/C10H19F3/c1-8(2)9(3)6-4-5-7-10(11,12)13/h8-9H,4-7H2,1-3H3
InChIKeyXDFQCQOXSWJFJM-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 54.40
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 175563823
1,1,1,13,13,13-hexafluoro-2-methyltridecane
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1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane
CID 162503519
(3S,7R)-2,3,7,8-tetramethylnonane
CID 153439349
6-bromo-1,1,1-trifluoro-5-methyloctane
CID 116536314
1,1,1,7,7,9,9,15,15,15-decafluoro-6,10-dimethylpentadecan-8-one
CID 175415315
2,3-dimethylnonacosane
CID 71331945
(6R)-1,1,1-trifluoro-3,6,7-trimethyloctane
CID 126748355
1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane
CID 150443837
7,7,7-trifluoro-3-propan-2-ylheptan-2-one
CID 115514587
2-tert-butyl-6,6,6-trifluorohexanoic acid
CID 83137658
ethane;1,1,1-trifluoro-4-methylpentane
CID 142517870

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-6,7-dimethyloctane?
The IUPAC name of 1,1,1-trifluoro-6,7-dimethyloctane (CID 162600398) is 1,1,1-trifluoro-6,7-dimethyloctane.
What is the SMILES notation for 1,1,1-trifluoro-6,7-dimethyloctane?
The canonical SMILES for 1,1,1-trifluoro-6,7-dimethyloctane is CC(C)C(C)CCCCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-6,7-dimethyloctane?
The InChIKey is XDFQCQOXSWJFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3/c1-8(2)9(3)6-4-5-7-10(11,12)13/h8-9H,4-7H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-6,7-dimethyloctane?
1,1,1-trifluoro-6,7-dimethyloctane has a molecular weight of 196.26 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-6,7-dimethyloctane is sourced from PubChem (CID 162600398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).