[(2S,3R)-2,3-difluorohexoxy]benzene

C12H16F2O — CID 97103069

IUPAC[(2S,3R)-2,3-difluorohexoxy]benzene
SMILESCCC[C@@H](F)[C@@H](F)COc1ccccc1
InChIInChI=1S/C12H16F2O/c1-2-6-11(13)12(14)9-15-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3/t11-,12+/m1/s1
InChIKeyGQKYDDAXMLJMNB-NEPJUHHUSA-N
MW214.26 g/mol
LogP3.54
Rot. Bonds6

About [(2S,3R)-2,3-difluorohexoxy]benzene

[(2S,3R)-2,3-difluorohexoxy]benzene (PubChem CID 97103069) has the molecular formula C12H16F2O and a molecular weight of 214.26 g/mol. Its IUPAC name is [(2S,3R)-2,3-difluorohexoxy]benzene.

Molecular Properties

Compound Name[(2S,3R)-2,3-difluorohexoxy]benzene
PubChem CID97103069
Molecular FormulaC12H16F2O
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name[(2S,3R)-2,3-difluorohexoxy]benzene
SMILESCCC[C@@H](F)[C@@H](F)COc1ccccc1
InChIInChI=1S/C12H16F2O/c1-2-6-11(13)12(14)9-15-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3/t11-,12+/m1/s1
InChIKeyGQKYDDAXMLJMNB-NEPJUHHUSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 143381444
(2-bromo-2-fluoroethoxy)benzene
CID 175098027
2,3-difluoropropoxybenzene
CID 141126062
N,3-dimethyl-1-phenoxyhexan-2-amine
CID 107893778
5-[4-[(2R,3R)-2,3-difluorohexoxy]phenyl]-2-octoxypyrimidine
CID 18658272
[(E)-5-ethyl-2-fluoronon-3-enoxy]benzene
CID 143381408
methyl 2-(phenoxymethyl)pentanoate
CID 117242093
N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine
CID 63474716
1-phenoxyheptan-2-ol
CID 12731443
2-(phenoxymethyl)pentane-1-sulfonyl chloride
CID 65012905
5-fluorooctan-4-ylbenzene
CID 173060835

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2,3-difluorohexoxy]benzene?
The IUPAC name of [(2S,3R)-2,3-difluorohexoxy]benzene (CID 97103069) is [(2S,3R)-2,3-difluorohexoxy]benzene.
What is the SMILES notation for [(2S,3R)-2,3-difluorohexoxy]benzene?
The canonical SMILES for [(2S,3R)-2,3-difluorohexoxy]benzene is CCC[C@@H](F)[C@@H](F)COc1ccccc1.
What is the InChIKey of [(2S,3R)-2,3-difluorohexoxy]benzene?
The InChIKey is GQKYDDAXMLJMNB-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H16F2O/c1-2-6-11(13)12(14)9-15-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3/t11-,12+/m1/s1.
What are the key properties of [(2S,3R)-2,3-difluorohexoxy]benzene?
[(2S,3R)-2,3-difluorohexoxy]benzene has a molecular weight of 214.26 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2,3-difluorohexoxy]benzene is sourced from PubChem (CID 97103069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).