2-[fluoro-[3-(trifluoromethyl)phenyl]methyl]azetidine

C11H11F4N — CID 105492174

IUPAC2-[fluoro-[3-(trifluoromethyl)phenyl]methyl]azetidine
SMILESFC(c1cccc(C(F)(F)F)c1)C1CCN1
InChIInChI=1S/C11H11F4N/c12-10(9-4-5-16-9)7-2-1-3-8(6-7)11(13,14)15/h1-3,6,9-10,16H,4-5H2
InChIKeyMDCWDHZDBMAMPL-UHFFFAOYSA-N
MW233.21 g/mol
LogP3.08
Rot. Bonds2

About 2-[fluoro-[3-(trifluoromethyl)phenyl]methyl]azetidine

2-[fluoro-[3-(trifluoromethyl)phenyl]methyl]azetidine (PubChem CID 105492174) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is 2-[fluoro-[3-(trifluoromethyl)phenyl]methyl]azetidine.

Molecular Properties

Compound Name2-[fluoro-[3-(trifluoromethyl)phenyl]methyl]azetidine
PubChem CID105492174
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name2-[fluoro-[3-(trifluoromethyl)phenyl]methyl]azetidine
SMILESFC(c1cccc(C(F)(F)F)c1)C1CCN1
InChIInChI=1S/C11H11F4N/c12-10(9-4-5-16-9)7-2-1-3-8(6-7)11(13,14)15/h1-3,6,9-10,16H,4-5H2
InChIKeyMDCWDHZDBMAMPL-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol
CID 23467209
piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol
CID 11392289
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197302
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
1-[(S)-cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171179871
cyclobutyl-[3-(trifluoromethyl)phenyl]methanol
CID 64986539
2-[fluoro-(4-methylphenyl)methyl]azetidine
CID 105438220
[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193820
(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206809
1-[1-adamantyl-[3-(trifluoromethyl)phenyl]methyl]adamantane
CID 10598645
1-[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 171291306
N-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
CID 63297008

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-[3-(trifluoromethyl)phenyl]methyl]azetidine?
The IUPAC name of 2-[fluoro-[3-(trifluoromethyl)phenyl]methyl]azetidine (CID 105492174) is 2-[fluoro-[3-(trifluoromethyl)phenyl]methyl]azetidine.
What is the SMILES notation for 2-[fluoro-[3-(trifluoromethyl)phenyl]methyl]azetidine?
The canonical SMILES for 2-[fluoro-[3-(trifluoromethyl)phenyl]methyl]azetidine is FC(c1cccc(C(F)(F)F)c1)C1CCN1.
What is the InChIKey of 2-[fluoro-[3-(trifluoromethyl)phenyl]methyl]azetidine?
The InChIKey is MDCWDHZDBMAMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N/c12-10(9-4-5-16-9)7-2-1-3-8(6-7)11(13,14)15/h1-3,6,9-10,16H,4-5H2.
What are the key properties of 2-[fluoro-[3-(trifluoromethyl)phenyl]methyl]azetidine?
2-[fluoro-[3-(trifluoromethyl)phenyl]methyl]azetidine has a molecular weight of 233.21 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-[3-(trifluoromethyl)phenyl]methyl]azetidine is sourced from PubChem (CID 105492174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).