1,1-difluoro-6,6-dimethylheptane

C9H18F2 — CID 162546967

IUPAC1,1-difluoro-6,6-dimethylheptane
SMILESCC(C)(C)CCCCC(F)F
InChIInChI=1S/C9H18F2/c1-9(2,3)7-5-4-6-8(10)11/h8H,4-7H2,1-3H3
InChIKeyNLLOERKWPBLOIB-UHFFFAOYSA-N
MW164.24 g/mol
LogP3.86
Rot. Bonds4

About 1,1-difluoro-6,6-dimethylheptane

1,1-difluoro-6,6-dimethylheptane (PubChem CID 162546967) has the molecular formula C9H18F2 and a molecular weight of 164.24 g/mol. Its IUPAC name is 1,1-difluoro-6,6-dimethylheptane.

Molecular Properties

Compound Name1,1-difluoro-6,6-dimethylheptane
PubChem CID162546967
Molecular FormulaC9H18F2
Molecular Weight164.24 g/mol
Exact Mass164.14
IUPAC Name1,1-difluoro-6,6-dimethylheptane
SMILESCC(C)(C)CCCCC(F)F
InChIInChI=1S/C9H18F2/c1-9(2,3)7-5-4-6-8(10)11/h8H,4-7H2,1-3H3
InChIKeyNLLOERKWPBLOIB-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 53.86
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

9,9-dimethyldecan-3-ol
CID 156689502
2,2,22,22-tetramethyl-12-nonyltricosane
CID 150859167
2,2,7-trimethylundecane
CID 57491501
2,2,13-trimethylpentadecane
CID 150334228
1,1,7,7-tetrafluoroheptane
CID 87478513
N-ethyl-7,7-dimethyloctan-2-amine
CID 64504249
1,1,1-trifluoro-2,10,10-trimethylundecane
CID 89223709
4-ethyl-2,2,9,9-tetramethyldecane
CID 157105314
9,9-dimethyldecan-4-ol
CID 18798749
2,2,3,8,8-pentamethylnonane
CID 57491849
7-chloro-2,2-dimethyloctane
CID 64515628
2,2-dimethylnonane;fluoromethane
CID 158057771

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-6,6-dimethylheptane?
The IUPAC name of 1,1-difluoro-6,6-dimethylheptane (CID 162546967) is 1,1-difluoro-6,6-dimethylheptane.
What is the SMILES notation for 1,1-difluoro-6,6-dimethylheptane?
The canonical SMILES for 1,1-difluoro-6,6-dimethylheptane is CC(C)(C)CCCCC(F)F.
What is the InChIKey of 1,1-difluoro-6,6-dimethylheptane?
The InChIKey is NLLOERKWPBLOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2/c1-9(2,3)7-5-4-6-8(10)11/h8H,4-7H2,1-3H3.
What are the key properties of 1,1-difluoro-6,6-dimethylheptane?
1,1-difluoro-6,6-dimethylheptane has a molecular weight of 164.24 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-6,6-dimethylheptane is sourced from PubChem (CID 162546967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).