(1S)-1-[(2R)-3,3-difluoro-1-methylazetidin-2-yl]ethanol;ethane

C8H17F2NO — CID 176946781

IUPAC(1S)-1-[(2R)-3,3-difluoro-1-methylazetidin-2-yl]ethanol;ethane
SMILESCC.C[C@H](O)[C@H]1N(C)CC1(F)F
InChIInChI=1S/C6H11F2NO.C2H6/c1-4(10)5-6(7,8)3-9(5)2;1-2/h4-5,10H,3H2,1-2H3;1-2H3/t4-,5+;/m0./s1
InChIKeyCBSGBUPRSAZSRE-UYXJWNHNSA-N
MW181.23 g/mol
LogP1.34
Rot. Bonds1

About (1S)-1-[(2R)-3,3-difluoro-1-methylazetidin-2-yl]ethanol;ethane

(1S)-1-[(2R)-3,3-difluoro-1-methylazetidin-2-yl]ethanol;ethane (PubChem CID 176946781) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is (1S)-1-[(2R)-3,3-difluoro-1-methylazetidin-2-yl]ethanol;ethane.

Molecular Properties

Compound Name(1S)-1-[(2R)-3,3-difluoro-1-methylazetidin-2-yl]ethanol;ethane
PubChem CID176946781
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name(1S)-1-[(2R)-3,3-difluoro-1-methylazetidin-2-yl]ethanol;ethane
SMILESCC.C[C@H](O)[C@H]1N(C)CC1(F)F
InChIInChI=1S/C6H11F2NO.C2H6/c1-4(10)5-6(7,8)3-9(5)2;1-2/h4-5,10H,3H2,1-2H3;1-2H3/t4-,5+;/m0./s1
InChIKeyCBSGBUPRSAZSRE-UYXJWNHNSA-N
XLogP1.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R)-3,3-difluoro-1-methylazetidin-2-yl]ethanol;ethane?
The IUPAC name of (1S)-1-[(2R)-3,3-difluoro-1-methylazetidin-2-yl]ethanol;ethane (CID 176946781) is (1S)-1-[(2R)-3,3-difluoro-1-methylazetidin-2-yl]ethanol;ethane.
What is the SMILES notation for (1S)-1-[(2R)-3,3-difluoro-1-methylazetidin-2-yl]ethanol;ethane?
The canonical SMILES for (1S)-1-[(2R)-3,3-difluoro-1-methylazetidin-2-yl]ethanol;ethane is CC.C[C@H](O)[C@H]1N(C)CC1(F)F.
What is the InChIKey of (1S)-1-[(2R)-3,3-difluoro-1-methylazetidin-2-yl]ethanol;ethane?
The InChIKey is CBSGBUPRSAZSRE-UYXJWNHNSA-N. The full InChI is InChI=1S/C6H11F2NO.C2H6/c1-4(10)5-6(7,8)3-9(5)2;1-2/h4-5,10H,3H2,1-2H3;1-2H3/t4-,5+;/m0./s1.
What are the key properties of (1S)-1-[(2R)-3,3-difluoro-1-methylazetidin-2-yl]ethanol;ethane?
(1S)-1-[(2R)-3,3-difluoro-1-methylazetidin-2-yl]ethanol;ethane has a molecular weight of 181.23 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-3,3-difluoro-1-methylazetidin-2-yl]ethanol;ethane is sourced from PubChem (CID 176946781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).