2,2-difluoro-3-[(2R,5S)-5-methyloxan-2-yl]propan-1-ol

C9H16F2O2 — CID 134353030

IUPAC2,2-difluoro-3-[(2R,5S)-5-methyloxan-2-yl]propan-1-ol
SMILESC[C@H]1CC[C@H](CC(F)(F)CO)OC1
InChIInChI=1S/C9H16F2O2/c1-7-2-3-8(13-5-7)4-9(10,11)6-12/h7-8,12H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyICDSBSURKIARTI-JGVFFNPUSA-N
MW194.22 g/mol
LogP1.82
Rot. Bonds3

About 2,2-difluoro-3-[(2R,5S)-5-methyloxan-2-yl]propan-1-ol

2,2-difluoro-3-[(2R,5S)-5-methyloxan-2-yl]propan-1-ol (PubChem CID 134353030) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 2,2-difluoro-3-[(2R,5S)-5-methyloxan-2-yl]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(2R,5S)-5-methyloxan-2-yl]propan-1-ol
PubChem CID134353030
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name2,2-difluoro-3-[(2R,5S)-5-methyloxan-2-yl]propan-1-ol
SMILESC[C@H]1CC[C@H](CC(F)(F)CO)OC1
InChIInChI=1S/C9H16F2O2/c1-7-2-3-8(13-5-7)4-9(10,11)6-12/h7-8,12H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyICDSBSURKIARTI-JGVFFNPUSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(2R,5S)-5-methyloxan-2-yl]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(2R,5S)-5-methyloxan-2-yl]propan-1-ol (CID 134353030) is 2,2-difluoro-3-[(2R,5S)-5-methyloxan-2-yl]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(2R,5S)-5-methyloxan-2-yl]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(2R,5S)-5-methyloxan-2-yl]propan-1-ol is C[C@H]1CC[C@H](CC(F)(F)CO)OC1.
What is the InChIKey of 2,2-difluoro-3-[(2R,5S)-5-methyloxan-2-yl]propan-1-ol?
The InChIKey is ICDSBSURKIARTI-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16F2O2/c1-7-2-3-8(13-5-7)4-9(10,11)6-12/h7-8,12H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of 2,2-difluoro-3-[(2R,5S)-5-methyloxan-2-yl]propan-1-ol?
2,2-difluoro-3-[(2R,5S)-5-methyloxan-2-yl]propan-1-ol has a molecular weight of 194.22 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(2R,5S)-5-methyloxan-2-yl]propan-1-ol is sourced from PubChem (CID 134353030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).