3-fluoro-3,5-dimethylheptane

C9H19F — CID 123257807

IUPAC3-fluoro-3,5-dimethylheptane
SMILESCCC(C)CC(C)(F)CC
InChIInChI=1S/C9H19F/c1-5-8(3)7-9(4,10)6-2/h8H,5-7H2,1-4H3
InChIKeyDMQZZMMOURYDAD-UHFFFAOYSA-N
MW146.25 g/mol
LogP3.56
Rot. Bonds4

About 3-fluoro-3,5-dimethylheptane

3-fluoro-3,5-dimethylheptane (PubChem CID 123257807) has the molecular formula C9H19F and a molecular weight of 146.25 g/mol. Its IUPAC name is 3-fluoro-3,5-dimethylheptane.

Molecular Properties

Compound Name3-fluoro-3,5-dimethylheptane
PubChem CID123257807
Molecular FormulaC9H19F
Molecular Weight146.25 g/mol
Exact Mass146.15
IUPAC Name3-fluoro-3,5-dimethylheptane
SMILESCCC(C)CC(C)(F)CC
InChIInChI=1S/C9H19F/c1-5-8(3)7-9(4,10)6-2/h8H,5-7H2,1-4H3
InChIKeyDMQZZMMOURYDAD-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1-trifluoro-3-methylpentane
CID 21020397
2,2-difluorobutane;ethane;3-methylpentane
CID 145386582
3-ethyl-3,5-dimethylheptane;methane
CID 167702557
methane;2,2,4-trimethylhexane
CID 159659116
azane;2,2,4-trimethylhexane
CID 87634842
3-ethyl-3,4,4,6-tetramethyloctane
CID 57492408
1,2,2-trifluoro-4-methylhexane
CID 145450268
(3S)-5-ethyl-3,5-dimethyloctane
CID 143713459
2,4-dimethyl-2-(2-methylbutan-2-yloxy)hexane
CID 177210579
2,2-difluoro-1-methoxy-4-methylhexane
CID 162613341
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methyldecane
CID 58901254
1-bromo-2-(bromomethyl)-2,4-dimethylhexane
CID 79453025

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3,5-dimethylheptane?
The IUPAC name of 3-fluoro-3,5-dimethylheptane (CID 123257807) is 3-fluoro-3,5-dimethylheptane.
What is the SMILES notation for 3-fluoro-3,5-dimethylheptane?
The canonical SMILES for 3-fluoro-3,5-dimethylheptane is CCC(C)CC(C)(F)CC.
What is the InChIKey of 3-fluoro-3,5-dimethylheptane?
The InChIKey is DMQZZMMOURYDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F/c1-5-8(3)7-9(4,10)6-2/h8H,5-7H2,1-4H3.
What are the key properties of 3-fluoro-3,5-dimethylheptane?
3-fluoro-3,5-dimethylheptane has a molecular weight of 146.25 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3,5-dimethylheptane is sourced from PubChem (CID 123257807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).