1,1,1-trifluoro-4,4-dimethylpentane

C7H13F3 — CID 19985541

IUPAC1,1,1-trifluoro-4,4-dimethylpentane
SMILESCC(C)(C)CCC(F)(F)F
InChIInChI=1S/C7H13F3/c1-6(2,3)4-5-7(8,9)10/h4-5H2,1-3H3
InChIKeyQDDBWPMDUZMPFS-UHFFFAOYSA-N
MW154.17 g/mol
LogP3.38
Rot. Bonds1

About 1,1,1-trifluoro-4,4-dimethylpentane

1,1,1-trifluoro-4,4-dimethylpentane (PubChem CID 19985541) has the molecular formula C7H13F3 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-4,4-dimethylpentane.

Molecular Properties

Compound Name1,1,1-trifluoro-4,4-dimethylpentane
PubChem CID19985541
Molecular FormulaC7H13F3
Molecular Weight154.17 g/mol
Exact Mass154.10
IUPAC Name1,1,1-trifluoro-4,4-dimethylpentane
SMILESCC(C)(C)CCC(F)(F)F
InChIInChI=1S/C7H13F3/c1-6(2,3)4-5-7(8,9)10/h4-5H2,1-3H3
InChIKeyQDDBWPMDUZMPFS-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Methyl-2-trifluoromethylperfluoropentane
CID 11515508
4-Methyl-2-pentylidene difluoride
CID 21733020
1,1-Difluoro-2,2,3,3-tetramethylcyclopropane
CID 576606
1-(Perfluoro-t-butyl)butane
CID 23236215
1,1,1,2,2-Pentafluoro-3,3-dimethylbutane
CID 23262889
1,1,1,2,3,3-Hexafluoro-4,4-dimethylpentane
CID 10727045
1,2,2-Trifluoro-3,3-dimethylbutane
CID 12634319
2,2-Difluoro-3,3-dimethylbutane
CID 14917271
1,1,2-Trifluoro-3,3-dimethyl-butane
CID 21731060
1,1,2,2-Tetrafluoro-3,3-dimethyl-butane
CID 21731061
1,2,2-Trifluoro-4-methylpentane
CID 153850854
1,1,1,4,4,4-Hexafluoro-2,2-dimethylbutane
CID 12603387

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4,4-dimethylpentane?
The IUPAC name of 1,1,1-trifluoro-4,4-dimethylpentane (CID 19985541) is 1,1,1-trifluoro-4,4-dimethylpentane.
What is the SMILES notation for 1,1,1-trifluoro-4,4-dimethylpentane?
The canonical SMILES for 1,1,1-trifluoro-4,4-dimethylpentane is CC(C)(C)CCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4,4-dimethylpentane?
The InChIKey is QDDBWPMDUZMPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3/c1-6(2,3)4-5-7(8,9)10/h4-5H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-4,4-dimethylpentane?
1,1,1-trifluoro-4,4-dimethylpentane has a molecular weight of 154.17 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4,4-dimethylpentane is sourced from PubChem (CID 19985541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).