[(1R,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methanol

C5H8F2O2 — CID 15524948

IUPAC[(1R,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methanol
SMILESOC[C@@H]1[C@H](CO)C1(F)F
InChIInChI=1S/C5H8F2O2/c6-5(7)3(1-8)4(5)2-9/h3-4,8-9H,1-2H2/t3-,4+
InChIKeyKSYJIMLAIWGZHF-ZXZARUISSA-N
MW138.11 g/mol
LogP-0.15
Rot. Bonds2

About [(1R,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methanol

[(1R,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methanol (PubChem CID 15524948) has the molecular formula C5H8F2O2 and a molecular weight of 138.11 g/mol. Its IUPAC name is [(1R,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methanol
PubChem CID15524948
Molecular FormulaC5H8F2O2
Molecular Weight138.11 g/mol
Exact Mass138.05
IUPAC Name[(1R,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methanol
SMILESOC[C@@H]1[C@H](CO)C1(F)F
InChIInChI=1S/C5H8F2O2/c6-5(7)3(1-8)4(5)2-9/h3-4,8-9H,1-2H2/t3-,4+
InChIKeyKSYJIMLAIWGZHF-ZXZARUISSA-N
XLogP-0.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.11
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methanol?
The IUPAC name of [(1R,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methanol (CID 15524948) is [(1R,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methanol.
What is the SMILES notation for [(1R,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methanol?
The canonical SMILES for [(1R,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methanol is OC[C@@H]1[C@H](CO)C1(F)F.
What is the InChIKey of [(1R,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methanol?
The InChIKey is KSYJIMLAIWGZHF-ZXZARUISSA-N. The full InChI is InChI=1S/C5H8F2O2/c6-5(7)3(1-8)4(5)2-9/h3-4,8-9H,1-2H2/t3-,4+.
What are the key properties of [(1R,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methanol?
[(1R,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methanol has a molecular weight of 138.11 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methanol is sourced from PubChem (CID 15524948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).