(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine;hydrochloride

C5H9ClF3NO — CID 178126695

IUPAC(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine;hydrochloride
SMILESC[C@@H]1NC[C@@H]1OC(F)(F)F.Cl
InChIInChI=1S/C5H8F3NO.ClH/c1-3-4(2-9-3)10-5(6,7)8;/h3-4,9H,2H2,1H3;1H/t3-,4-;/m0./s1
InChIKeyXXHDHSJYPCPYHZ-MMALYQPHSA-N
MW191.58 g/mol
LogP1.30
Rot. Bonds1

About (2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine;hydrochloride

(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine;hydrochloride (PubChem CID 178126695) has the molecular formula C5H9ClF3NO and a molecular weight of 191.58 g/mol. Its IUPAC name is (2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine;hydrochloride
PubChem CID178126695
Molecular FormulaC5H9ClF3NO
Molecular Weight191.58 g/mol
Exact Mass191.03
IUPAC Name(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine;hydrochloride
SMILESC[C@@H]1NC[C@@H]1OC(F)(F)F.Cl
InChIInChI=1S/C5H8F3NO.ClH/c1-3-4(2-9-3)10-5(6,7)8;/h3-4,9H,2H2,1H3;1H/t3-,4-;/m0./s1
InChIKeyXXHDHSJYPCPYHZ-MMALYQPHSA-N
XLogP1.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.58
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine;hydrochloride?
The IUPAC name of (2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine;hydrochloride (CID 178126695) is (2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine;hydrochloride.
What is the SMILES notation for (2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine;hydrochloride?
The canonical SMILES for (2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine;hydrochloride is C[C@@H]1NC[C@@H]1OC(F)(F)F.Cl.
What is the InChIKey of (2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine;hydrochloride?
The InChIKey is XXHDHSJYPCPYHZ-MMALYQPHSA-N. The full InChI is InChI=1S/C5H8F3NO.ClH/c1-3-4(2-9-3)10-5(6,7)8;/h3-4,9H,2H2,1H3;1H/t3-,4-;/m0./s1.
What are the key properties of (2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine;hydrochloride?
(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine;hydrochloride has a molecular weight of 191.58 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine;hydrochloride is sourced from PubChem (CID 178126695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).