[(2S,3S)-1-ethoxy-2,3-difluorocyclohexyl]methanol

C9H16F2O2 — CID 66683109

IUPAC[(2S,3S)-1-ethoxy-2,3-difluorocyclohexyl]methanol
SMILESCCOC1(CO)CCC[C@H](F)[C@H]1F
InChIInChI=1S/C9H16F2O2/c1-2-13-9(6-12)5-3-4-7(10)8(9)11/h7-8,12H,2-6H2,1H3/t7-,8+,9?/m0/s1
InChIKeyQUQQKSLDJJJXDG-ZQTLJVIJSA-N
MW194.22 g/mol
LogP1.61
Rot. Bonds3

About [(2S,3S)-1-ethoxy-2,3-difluorocyclohexyl]methanol

[(2S,3S)-1-ethoxy-2,3-difluorocyclohexyl]methanol (PubChem CID 66683109) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is [(2S,3S)-1-ethoxy-2,3-difluorocyclohexyl]methanol.

Molecular Properties

Compound Name[(2S,3S)-1-ethoxy-2,3-difluorocyclohexyl]methanol
PubChem CID66683109
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name[(2S,3S)-1-ethoxy-2,3-difluorocyclohexyl]methanol
SMILESCCOC1(CO)CCC[C@H](F)[C@H]1F
InChIInChI=1S/C9H16F2O2/c1-2-13-9(6-12)5-3-4-7(10)8(9)11/h7-8,12H,2-6H2,1H3/t7-,8+,9?/m0/s1
InChIKeyQUQQKSLDJJJXDG-ZQTLJVIJSA-N
XLogP1.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-1-ethoxy-2,3-difluorocyclohexyl]methanol?
The IUPAC name of [(2S,3S)-1-ethoxy-2,3-difluorocyclohexyl]methanol (CID 66683109) is [(2S,3S)-1-ethoxy-2,3-difluorocyclohexyl]methanol.
What is the SMILES notation for [(2S,3S)-1-ethoxy-2,3-difluorocyclohexyl]methanol?
The canonical SMILES for [(2S,3S)-1-ethoxy-2,3-difluorocyclohexyl]methanol is CCOC1(CO)CCC[C@H](F)[C@H]1F.
What is the InChIKey of [(2S,3S)-1-ethoxy-2,3-difluorocyclohexyl]methanol?
The InChIKey is QUQQKSLDJJJXDG-ZQTLJVIJSA-N. The full InChI is InChI=1S/C9H16F2O2/c1-2-13-9(6-12)5-3-4-7(10)8(9)11/h7-8,12H,2-6H2,1H3/t7-,8+,9?/m0/s1.
What are the key properties of [(2S,3S)-1-ethoxy-2,3-difluorocyclohexyl]methanol?
[(2S,3S)-1-ethoxy-2,3-difluorocyclohexyl]methanol has a molecular weight of 194.22 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-1-ethoxy-2,3-difluorocyclohexyl]methanol is sourced from PubChem (CID 66683109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).