(3R)-3-(3,5-difluorophenyl)-3-(1,1-dihydroxythian-4-yl)propan-1-ol

C14H20F2O3S — CID 68712112

IUPAC(3R)-3-(3,5-difluorophenyl)-3-(1,1-dihydroxythian-4-yl)propan-1-ol
SMILESOCC[C@@H](c1cc(F)cc(F)c1)C1CCS(O)(O)CC1
InChIInChI=1S/C14H20F2O3S/c15-12-7-11(8-13(16)9-12)14(1-4-17)10-2-5-20(18,19)6-3-10/h7-10,14,17-19H,1-6H2/t14-/m1/s1
InChIKeyMUULCEBNVQIFQK-CQSZACIVSA-N
MW306.37 g/mol
LogP3.59
Rot. Bonds4

About (3R)-3-(3,5-difluorophenyl)-3-(1,1-dihydroxythian-4-yl)propan-1-ol

(3R)-3-(3,5-difluorophenyl)-3-(1,1-dihydroxythian-4-yl)propan-1-ol (PubChem CID 68712112) has the molecular formula C14H20F2O3S and a molecular weight of 306.37 g/mol. Its IUPAC name is (3R)-3-(3,5-difluorophenyl)-3-(1,1-dihydroxythian-4-yl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-(3,5-difluorophenyl)-3-(1,1-dihydroxythian-4-yl)propan-1-ol
PubChem CID68712112
Molecular FormulaC14H20F2O3S
Molecular Weight306.37 g/mol
Exact Mass306.11
IUPAC Name(3R)-3-(3,5-difluorophenyl)-3-(1,1-dihydroxythian-4-yl)propan-1-ol
SMILESOCC[C@@H](c1cc(F)cc(F)c1)C1CCS(O)(O)CC1
InChIInChI=1S/C14H20F2O3S/c15-12-7-11(8-13(16)9-12)14(1-4-17)10-2-5-20(18,19)6-3-10/h7-10,14,17-19H,1-6H2/t14-/m1/s1
InChIKeyMUULCEBNVQIFQK-CQSZACIVSA-N
XLogP3.59
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-difluorophenyl)-3-(1,1-dihydroxythian-4-yl)propan-1-ol?
The IUPAC name of (3R)-3-(3,5-difluorophenyl)-3-(1,1-dihydroxythian-4-yl)propan-1-ol (CID 68712112) is (3R)-3-(3,5-difluorophenyl)-3-(1,1-dihydroxythian-4-yl)propan-1-ol.
What is the SMILES notation for (3R)-3-(3,5-difluorophenyl)-3-(1,1-dihydroxythian-4-yl)propan-1-ol?
The canonical SMILES for (3R)-3-(3,5-difluorophenyl)-3-(1,1-dihydroxythian-4-yl)propan-1-ol is OCC[C@@H](c1cc(F)cc(F)c1)C1CCS(O)(O)CC1.
What is the InChIKey of (3R)-3-(3,5-difluorophenyl)-3-(1,1-dihydroxythian-4-yl)propan-1-ol?
The InChIKey is MUULCEBNVQIFQK-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20F2O3S/c15-12-7-11(8-13(16)9-12)14(1-4-17)10-2-5-20(18,19)6-3-10/h7-10,14,17-19H,1-6H2/t14-/m1/s1.
What are the key properties of (3R)-3-(3,5-difluorophenyl)-3-(1,1-dihydroxythian-4-yl)propan-1-ol?
(3R)-3-(3,5-difluorophenyl)-3-(1,1-dihydroxythian-4-yl)propan-1-ol has a molecular weight of 306.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5-difluorophenyl)-3-(1,1-dihydroxythian-4-yl)propan-1-ol is sourced from PubChem (CID 68712112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).