(3R,7S)-3,7-difluoro-2,2,6,6-tetramethyloctane

C12H24F2 — CID 167051868

IUPAC(3R,7S)-3,7-difluoro-2,2,6,6-tetramethyloctane
SMILESC[C@H](F)C(C)(C)CC[C@@H](F)C(C)(C)C
InChIInChI=1S/C12H24F2/c1-9(13)12(5,6)8-7-10(14)11(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10+/m0/s1
InChIKeyLIQNYVNJLAUDGN-VHSXEESVSA-N
MW206.32 g/mol
LogP4.53
Rot. Bonds4

About (3R,7S)-3,7-difluoro-2,2,6,6-tetramethyloctane

(3R,7S)-3,7-difluoro-2,2,6,6-tetramethyloctane (PubChem CID 167051868) has the molecular formula C12H24F2 and a molecular weight of 206.32 g/mol. Its IUPAC name is (3R,7S)-3,7-difluoro-2,2,6,6-tetramethyloctane.

Molecular Properties

Compound Name(3R,7S)-3,7-difluoro-2,2,6,6-tetramethyloctane
PubChem CID167051868
Molecular FormulaC12H24F2
Molecular Weight206.32 g/mol
Exact Mass206.18
IUPAC Name(3R,7S)-3,7-difluoro-2,2,6,6-tetramethyloctane
SMILESC[C@H](F)C(C)(C)CC[C@@H](F)C(C)(C)C
InChIInChI=1S/C12H24F2/c1-9(13)12(5,6)8-7-10(14)11(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10+/m0/s1
InChIKeyLIQNYVNJLAUDGN-VHSXEESVSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.32
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 83855225
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CID 123795211
2-fluoro-3,3-dimethylbutan-1-amine;hydrochloride
CID 105430435
6,6-difluoro-2-methylheptan-3-amine
CID 126844363
2,5,5,6-tetramethylheptanal
CID 156689524
(2R)-5,5-difluorohexan-2-amine
CID 156690161
2,2-difluoro-5-propan-2-yloctane
CID 175620292
3-fluoro-2,2,4-trimethylheptane
CID 123271530
2,5,5,6-tetramethyloctane
CID 53424276
5,5-difluoro-N-methyl-2-propan-2-ylhexan-1-amine
CID 126844357
5,5-dimethyl-2-propan-2-ylhexan-1-ol
CID 66057517

Frequently Asked Questions

What is the IUPAC name of (3R,7S)-3,7-difluoro-2,2,6,6-tetramethyloctane?
The IUPAC name of (3R,7S)-3,7-difluoro-2,2,6,6-tetramethyloctane (CID 167051868) is (3R,7S)-3,7-difluoro-2,2,6,6-tetramethyloctane.
What is the SMILES notation for (3R,7S)-3,7-difluoro-2,2,6,6-tetramethyloctane?
The canonical SMILES for (3R,7S)-3,7-difluoro-2,2,6,6-tetramethyloctane is C[C@H](F)C(C)(C)CC[C@@H](F)C(C)(C)C.
What is the InChIKey of (3R,7S)-3,7-difluoro-2,2,6,6-tetramethyloctane?
The InChIKey is LIQNYVNJLAUDGN-VHSXEESVSA-N. The full InChI is InChI=1S/C12H24F2/c1-9(13)12(5,6)8-7-10(14)11(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10+/m0/s1.
What are the key properties of (3R,7S)-3,7-difluoro-2,2,6,6-tetramethyloctane?
(3R,7S)-3,7-difluoro-2,2,6,6-tetramethyloctane has a molecular weight of 206.32 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7S)-3,7-difluoro-2,2,6,6-tetramethyloctane is sourced from PubChem (CID 167051868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).