2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine

C13H16F3N — CID 115059013

IUPAC2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine
SMILESCCCC1(c2cccc(C(F)(F)F)c2)CCN1
InChIInChI=1S/C13H16F3N/c1-2-6-12(7-8-17-12)10-4-3-5-11(9-10)13(14,15)16/h3-5,9,17H,2,6-8H2,1H3
InChIKeySNHFMMWLRIDXOR-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.69
Rot. Bonds3

About 2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine

2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine (PubChem CID 115059013) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine.

Molecular Properties

Compound Name2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine
PubChem CID115059013
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine
SMILESCCCC1(c2cccc(C(F)(F)F)c2)CCN1
InChIInChI=1S/C13H16F3N/c1-2-6-12(7-8-17-12)10-4-3-5-11(9-10)13(14,15)16/h3-5,9,17H,2,6-8H2,1H3
InChIKeySNHFMMWLRIDXOR-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 63156452
2-[2-[3-(trifluoromethyl)phenyl]piperidin-2-yl]acetic acid
CID 115059093
2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propylazepane
CID 107289102
(2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 98042591
N-[[5-[3-(trifluoromethyl)phenyl]spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008716
3,3-diethyl-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carbonitrile
CID 65003754
1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078
(3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 124566972
1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene
CID 59590181
1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile
CID 43119035
2-phenyl-2-propylazepane
CID 79117631
N-[[1-[3-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methyl]propan-1-amine
CID 65353510

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine?
The IUPAC name of 2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine (CID 115059013) is 2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine.
What is the SMILES notation for 2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine?
The canonical SMILES for 2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine is CCCC1(c2cccc(C(F)(F)F)c2)CCN1.
What is the InChIKey of 2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine?
The InChIKey is SNHFMMWLRIDXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-2-6-12(7-8-17-12)10-4-3-5-11(9-10)13(14,15)16/h3-5,9,17H,2,6-8H2,1H3.
What are the key properties of 2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine?
2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine has a molecular weight of 243.27 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine is sourced from PubChem (CID 115059013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).