(2S)-1,1-difluoro-2-(5-methylfuran-2-yl)propan-2-ol

C8H10F2O2 — CID 71474933

IUPAC(2S)-1,1-difluoro-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc([C@](C)(O)C(F)F)o1
InChIInChI=1S/C8H10F2O2/c1-5-3-4-6(12-5)8(2,11)7(9)10/h3-4,7,11H,1-2H3/t8-/m0/s1
InChIKeyHSGKRFJFXQPYGZ-QMMMGPOBSA-N
MW176.16 g/mol
LogP2.06
Rot. Bonds2

About (2S)-1,1-difluoro-2-(5-methylfuran-2-yl)propan-2-ol

(2S)-1,1-difluoro-2-(5-methylfuran-2-yl)propan-2-ol (PubChem CID 71474933) has the molecular formula C8H10F2O2 and a molecular weight of 176.16 g/mol. Its IUPAC name is (2S)-1,1-difluoro-2-(5-methylfuran-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1-difluoro-2-(5-methylfuran-2-yl)propan-2-ol
PubChem CID71474933
Molecular FormulaC8H10F2O2
Molecular Weight176.16 g/mol
Exact Mass176.06
IUPAC Name(2S)-1,1-difluoro-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc([C@](C)(O)C(F)F)o1
InChIInChI=1S/C8H10F2O2/c1-5-3-4-6(12-5)8(2,11)7(9)10/h3-4,7,11H,1-2H3/t8-/m0/s1
InChIKeyHSGKRFJFXQPYGZ-QMMMGPOBSA-N
XLogP2.06
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methylfurfuryl alcohol
CID 520911
1-(2-Furyl)ethanol
CID 107243
[5-(Ethoxymethyl)furan-2-yl]methanol
CID 13793775
5-(Trifluoromethyl)furan-2-carboxylic acid
CID 2777521
(1R)-1-(furan-2-yl)ethan-1-ol
CID 642107
2,2,2-Trifluoro-1-(furan-2-yl)ethan-1-ol
CID 2760709
5-tert-Butyl-3-methyl-furan-2-carboxylic acid
CID 3151895
1,1,1,3,3,3-Hexafluoro-2-(5-methylfuran-2-yl)propan-2-ol
CID 573264
(E)-4-[5-(Hydroxymethyl)-2-furanyl]-3-butene-2-one
CID 24861973
Ethanone, 1-[5-(hydroxymethyl)-2-furanyl]-
CID 580381
5-tert-butylfuran-2-carboxylic Acid
CID 4519050
(1S)-1-(furan-2-yl)ethan-1-ol
CID 6933329

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1-difluoro-2-(5-methylfuran-2-yl)propan-2-ol?
The IUPAC name of (2S)-1,1-difluoro-2-(5-methylfuran-2-yl)propan-2-ol (CID 71474933) is (2S)-1,1-difluoro-2-(5-methylfuran-2-yl)propan-2-ol.
What is the SMILES notation for (2S)-1,1-difluoro-2-(5-methylfuran-2-yl)propan-2-ol?
The canonical SMILES for (2S)-1,1-difluoro-2-(5-methylfuran-2-yl)propan-2-ol is Cc1ccc([C@](C)(O)C(F)F)o1.
What is the InChIKey of (2S)-1,1-difluoro-2-(5-methylfuran-2-yl)propan-2-ol?
The InChIKey is HSGKRFJFXQPYGZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10F2O2/c1-5-3-4-6(12-5)8(2,11)7(9)10/h3-4,7,11H,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1,1-difluoro-2-(5-methylfuran-2-yl)propan-2-ol?
(2S)-1,1-difluoro-2-(5-methylfuran-2-yl)propan-2-ol has a molecular weight of 176.16 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1-difluoro-2-(5-methylfuran-2-yl)propan-2-ol is sourced from PubChem (CID 71474933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).