3-[(2R)-2-[3-(2,2-difluoroethoxy)phenyl]propyl]sulfonylpropan-1-ol

C14H20F2O4S — CID 58218162

IUPAC3-[(2R)-2-[3-(2,2-difluoroethoxy)phenyl]propyl]sulfonylpropan-1-ol
SMILESC[C@@H](CS(=O)(=O)CCCO)c1cccc(OCC(F)F)c1
InChIInChI=1S/C14H20F2O4S/c1-11(10-21(18,19)7-3-6-17)12-4-2-5-13(8-12)20-9-14(15)16/h2,4-5,8,11,14,17H,3,6-7,9-10H2,1H3/t11-/m0/s1
InChIKeyKEFHWRWNHRTXSS-NSHDSACASA-N
MW322.37 g/mol
LogP2.23
Rot. Bonds9

About 3-[(2R)-2-[3-(2,2-difluoroethoxy)phenyl]propyl]sulfonylpropan-1-ol

3-[(2R)-2-[3-(2,2-difluoroethoxy)phenyl]propyl]sulfonylpropan-1-ol (PubChem CID 58218162) has the molecular formula C14H20F2O4S and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[(2R)-2-[3-(2,2-difluoroethoxy)phenyl]propyl]sulfonylpropan-1-ol.

Molecular Properties

Compound Name3-[(2R)-2-[3-(2,2-difluoroethoxy)phenyl]propyl]sulfonylpropan-1-ol
PubChem CID58218162
Molecular FormulaC14H20F2O4S
Molecular Weight322.37 g/mol
Exact Mass322.11
IUPAC Name3-[(2R)-2-[3-(2,2-difluoroethoxy)phenyl]propyl]sulfonylpropan-1-ol
SMILESC[C@@H](CS(=O)(=O)CCCO)c1cccc(OCC(F)F)c1
InChIInChI=1S/C14H20F2O4S/c1-11(10-21(18,19)7-3-6-17)12-4-2-5-13(8-12)20-9-14(15)16/h2,4-5,8,11,14,17H,3,6-7,9-10H2,1H3/t11-/m0/s1
InChIKeyKEFHWRWNHRTXSS-NSHDSACASA-N
XLogP2.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Hydroxy-3-(3-methylphenoxy)thiolan-1-one
CID 2831194
2-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide
CID 9798779
3-(3-(Trifluoromethyl)phenoxy)propane-1-sulfonyl chloride
CID 64200843
2-[[4-(Difluoromethoxy)phenyl]methylsulfonyl]ethanol
CID 71857007
2-[[4-(2,2,2-Trifluoroethoxy)phenyl]methylsulfonyl]ethanol
CID 71972663
9-[4-(Trifluoromethyl)phenoxy]nonane-1-sulfonic acid
CID 87621109
1-[3-[[4-(Difluoromethylsulfonyl)phenyl]methoxy]phenyl]ethanol
CID 71858076
3-(4-Methoxyphenyl)-2,2-bis(trifluoromethyl)thietane 1,1-dioxide
CID 13810275
(Z)-S-((4-Methyl-9-(((trifluoromethyl)sulfonyl)oxy)-2,3,6,7-tetrahydrobenzo[b]oxonin-2-yl)methyl) ethanethioate
CID 66557244
9-[4-(Trifluoromethyl)phenoxy]nonane-1-sulfonoperoxoic acid
CID 91271405
[2-methoxy-6-[(1S)-1-methylsulfanylethyl]phenyl]selanyl trifluoromethanesulfonate
CID 101175074
5-(3,5-Dimethylphenoxy)-1,1,1-trifluoropentane-3-sulfonyl fluoride
CID 134938941

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[3-(2,2-difluoroethoxy)phenyl]propyl]sulfonylpropan-1-ol?
The IUPAC name of 3-[(2R)-2-[3-(2,2-difluoroethoxy)phenyl]propyl]sulfonylpropan-1-ol (CID 58218162) is 3-[(2R)-2-[3-(2,2-difluoroethoxy)phenyl]propyl]sulfonylpropan-1-ol.
What is the SMILES notation for 3-[(2R)-2-[3-(2,2-difluoroethoxy)phenyl]propyl]sulfonylpropan-1-ol?
The canonical SMILES for 3-[(2R)-2-[3-(2,2-difluoroethoxy)phenyl]propyl]sulfonylpropan-1-ol is C[C@@H](CS(=O)(=O)CCCO)c1cccc(OCC(F)F)c1.
What is the InChIKey of 3-[(2R)-2-[3-(2,2-difluoroethoxy)phenyl]propyl]sulfonylpropan-1-ol?
The InChIKey is KEFHWRWNHRTXSS-NSHDSACASA-N. The full InChI is InChI=1S/C14H20F2O4S/c1-11(10-21(18,19)7-3-6-17)12-4-2-5-13(8-12)20-9-14(15)16/h2,4-5,8,11,14,17H,3,6-7,9-10H2,1H3/t11-/m0/s1.
What are the key properties of 3-[(2R)-2-[3-(2,2-difluoroethoxy)phenyl]propyl]sulfonylpropan-1-ol?
3-[(2R)-2-[3-(2,2-difluoroethoxy)phenyl]propyl]sulfonylpropan-1-ol has a molecular weight of 322.37 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[3-(2,2-difluoroethoxy)phenyl]propyl]sulfonylpropan-1-ol is sourced from PubChem (CID 58218162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).