3,3-difluoro-4-methylheptane

C8H16F2 — CID 146477960

IUPAC3,3-difluoro-4-methylheptane
SMILESCCCC(C)C(F)(F)CC
InChIInChI=1S/C8H16F2/c1-4-6-7(3)8(9,10)5-2/h7H,4-6H2,1-3H3
InChIKeyCLFVNJHOYIMBLL-UHFFFAOYSA-N
MW150.21 g/mol
LogP3.47
Rot. Bonds4

About 3,3-difluoro-4-methylheptane

3,3-difluoro-4-methylheptane (PubChem CID 146477960) has the molecular formula C8H16F2 and a molecular weight of 150.21 g/mol. Its IUPAC name is 3,3-difluoro-4-methylheptane.

Molecular Properties

Compound Name3,3-difluoro-4-methylheptane
PubChem CID146477960
Molecular FormulaC8H16F2
Molecular Weight150.21 g/mol
Exact Mass150.12
IUPAC Name3,3-difluoro-4-methylheptane
SMILESCCCC(C)C(F)(F)CC
InChIInChI=1S/C8H16F2/c1-4-6-7(3)8(9,10)5-2/h7H,4-6H2,1-3H3
InChIKeyCLFVNJHOYIMBLL-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-2,3-dimethylhexan-1-amine
CID 107889779
[(5S)-4,4-difluoro-2,5-dimethyloctan-2-yl]phosphonic acid
CID 22884831
CID 154668151
CID 154668151
2,3-dimethylhexan-2-ylphosphanium tetrafluoroborate
CID 87195673
2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid
CID 107887883
4-fluoro-4-(methoxymethyl)-5-methyloctan-1-amine
CID 107889807
2,3-dimethylhexan-2-ylphosphane;hydrobromide
CID 173157513
(3R)-2-methyl-3-(trifluoromethyl)hexane
CID 122598619
ethane;3,3,4-trimethylheptan-1-amine
CID 143679241
2,2-difluoro-5-propan-2-yloctane
CID 175620292
2-butan-2-yl-2-fluoro-3-methylhexanamide
CID 54304177
3,4-dimethylheptane-2,2,3-trithiol
CID 166664706

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methylheptane?
The IUPAC name of 3,3-difluoro-4-methylheptane (CID 146477960) is 3,3-difluoro-4-methylheptane.
What is the SMILES notation for 3,3-difluoro-4-methylheptane?
The canonical SMILES for 3,3-difluoro-4-methylheptane is CCCC(C)C(F)(F)CC.
What is the InChIKey of 3,3-difluoro-4-methylheptane?
The InChIKey is CLFVNJHOYIMBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2/c1-4-6-7(3)8(9,10)5-2/h7H,4-6H2,1-3H3.
What are the key properties of 3,3-difluoro-4-methylheptane?
3,3-difluoro-4-methylheptane has a molecular weight of 150.21 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methylheptane is sourced from PubChem (CID 146477960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).