3-cyclopentyl-3-[[3-(trifluoromethyl)phenyl]methyl]azetidine

C16H20F3N — CID 115927272

IUPAC3-cyclopentyl-3-[[3-(trifluoromethyl)phenyl]methyl]azetidine
SMILESFC(F)(F)c1cccc(CC2(C3CCCC3)CNC2)c1
InChIInChI=1S/C16H20F3N/c17-16(18,19)14-7-3-4-12(8-14)9-15(10-20-11-15)13-5-1-2-6-13/h3-4,7-8,13,20H,1-2,5-6,9-11H2
InChIKeyCELOKEKKAFBNCX-UHFFFAOYSA-N
MW283.34 g/mol
LogP4.03
Rot. Bonds3

About 3-cyclopentyl-3-[[3-(trifluoromethyl)phenyl]methyl]azetidine

3-cyclopentyl-3-[[3-(trifluoromethyl)phenyl]methyl]azetidine (PubChem CID 115927272) has the molecular formula C16H20F3N and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-cyclopentyl-3-[[3-(trifluoromethyl)phenyl]methyl]azetidine.

Molecular Properties

Compound Name3-cyclopentyl-3-[[3-(trifluoromethyl)phenyl]methyl]azetidine
PubChem CID115927272
Molecular FormulaC16H20F3N
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name3-cyclopentyl-3-[[3-(trifluoromethyl)phenyl]methyl]azetidine
SMILESFC(F)(F)c1cccc(CC2(C3CCCC3)CNC2)c1
InChIInChI=1S/C16H20F3N/c17-16(18,19)14-7-3-4-12(8-14)9-15(10-20-11-15)13-5-1-2-6-13/h3-4,7-8,13,20H,1-2,5-6,9-11H2
InChIKeyCELOKEKKAFBNCX-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
CID 62621040
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 65149544
N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723191
5,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine
CID 117228982
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene
CID 66034453
1-N,2-N-bis[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040821
3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 112567629
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058938
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptane-1-carbonitrile
CID 65389527
1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone
CID 55095836
1-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]cycloheptane
CID 63459682
3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 106874015

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-[[3-(trifluoromethyl)phenyl]methyl]azetidine?
The IUPAC name of 3-cyclopentyl-3-[[3-(trifluoromethyl)phenyl]methyl]azetidine (CID 115927272) is 3-cyclopentyl-3-[[3-(trifluoromethyl)phenyl]methyl]azetidine.
What is the SMILES notation for 3-cyclopentyl-3-[[3-(trifluoromethyl)phenyl]methyl]azetidine?
The canonical SMILES for 3-cyclopentyl-3-[[3-(trifluoromethyl)phenyl]methyl]azetidine is FC(F)(F)c1cccc(CC2(C3CCCC3)CNC2)c1.
What is the InChIKey of 3-cyclopentyl-3-[[3-(trifluoromethyl)phenyl]methyl]azetidine?
The InChIKey is CELOKEKKAFBNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N/c17-16(18,19)14-7-3-4-12(8-14)9-15(10-20-11-15)13-5-1-2-6-13/h3-4,7-8,13,20H,1-2,5-6,9-11H2.
What are the key properties of 3-cyclopentyl-3-[[3-(trifluoromethyl)phenyl]methyl]azetidine?
3-cyclopentyl-3-[[3-(trifluoromethyl)phenyl]methyl]azetidine has a molecular weight of 283.34 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-[[3-(trifluoromethyl)phenyl]methyl]azetidine is sourced from PubChem (CID 115927272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).