3-methyl-3-(trifluoromethoxy)azetidine;hydrochloride

C5H9ClF3NO — CID 155714428

IUPAC3-methyl-3-(trifluoromethoxy)azetidine;hydrochloride
SMILESCC1(OC(F)(F)F)CNC1.Cl
InChIInChI=1S/C5H8F3NO.ClH/c1-4(2-9-3-4)10-5(6,7)8;/h9H,2-3H2,1H3;1H
InChIKeyKTCSONBXTBQFPW-UHFFFAOYSA-N
MW191.58 g/mol
LogP1.31
Rot. Bonds1

About 3-methyl-3-(trifluoromethoxy)azetidine;hydrochloride

3-methyl-3-(trifluoromethoxy)azetidine;hydrochloride (PubChem CID 155714428) has the molecular formula C5H9ClF3NO and a molecular weight of 191.58 g/mol. Its IUPAC name is 3-methyl-3-(trifluoromethoxy)azetidine;hydrochloride.

Molecular Properties

Compound Name3-methyl-3-(trifluoromethoxy)azetidine;hydrochloride
PubChem CID155714428
Molecular FormulaC5H9ClF3NO
Molecular Weight191.58 g/mol
Exact Mass191.03
IUPAC Name3-methyl-3-(trifluoromethoxy)azetidine;hydrochloride
SMILESCC1(OC(F)(F)F)CNC1.Cl
InChIInChI=1S/C5H8F3NO.ClH/c1-4(2-9-3-4)10-5(6,7)8;/h9H,2-3H2,1H3;1H
InChIKeyKTCSONBXTBQFPW-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Trifluoromethyl)azetidin-3-ol hydrochloride
CID 46735152
3-Methoxy-3-methylazetidine hydrochloride
CID 53346546
3-(Difluoromethyl)azetidin-3-ol hydrochloride
CID 119081657
3-Methoxy-3-(trifluoromethyl)azetidine hydrochloride
CID 132327547
3-(Difluoromethyl)-3-methoxyazetidine hydrochloride
CID 145913729
3-(Difluoromethoxy)-3-methylazetidine
CID 114782806
3-(Fluoromethyl)-3-methoxyazetidine hydrochloride
CID 139022684
3-Methoxy-3-methylazetidine
CID 46911956
3-(Trifluoromethyl)azetidin-1-ium-3-ol;chloride
CID 119087095
3-Methoxy-3-(trifluoromethyl)azetidine
CID 121203413
3-Ethoxy-3-(trifluoromethyl)azetidine
CID 121203436
3-Propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 132101258

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(trifluoromethoxy)azetidine;hydrochloride?
The IUPAC name of 3-methyl-3-(trifluoromethoxy)azetidine;hydrochloride (CID 155714428) is 3-methyl-3-(trifluoromethoxy)azetidine;hydrochloride.
What is the SMILES notation for 3-methyl-3-(trifluoromethoxy)azetidine;hydrochloride?
The canonical SMILES for 3-methyl-3-(trifluoromethoxy)azetidine;hydrochloride is CC1(OC(F)(F)F)CNC1.Cl.
What is the InChIKey of 3-methyl-3-(trifluoromethoxy)azetidine;hydrochloride?
The InChIKey is KTCSONBXTBQFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO.ClH/c1-4(2-9-3-4)10-5(6,7)8;/h9H,2-3H2,1H3;1H.
What are the key properties of 3-methyl-3-(trifluoromethoxy)azetidine;hydrochloride?
3-methyl-3-(trifluoromethoxy)azetidine;hydrochloride has a molecular weight of 191.58 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(trifluoromethoxy)azetidine;hydrochloride is sourced from PubChem (CID 155714428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).