3-[(2,5-difluorophenyl)methyl]-3-propan-2-ylazetidine

C13H17F2N — CID 79451244

IUPAC3-[(2,5-difluorophenyl)methyl]-3-propan-2-ylazetidine
SMILESCC(C)C1(Cc2cc(F)ccc2F)CNC1
InChIInChI=1S/C13H17F2N/c1-9(2)13(7-16-8-13)6-10-5-11(14)3-4-12(10)15/h3-5,9,16H,6-8H2,1-2H3
InChIKeyFMEXJHLZAJAOFO-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.75
Rot. Bonds3

About 3-[(2,5-difluorophenyl)methyl]-3-propan-2-ylazetidine

3-[(2,5-difluorophenyl)methyl]-3-propan-2-ylazetidine (PubChem CID 79451244) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methyl]-3-propan-2-ylazetidine.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methyl]-3-propan-2-ylazetidine
PubChem CID79451244
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name3-[(2,5-difluorophenyl)methyl]-3-propan-2-ylazetidine
SMILESCC(C)C1(Cc2cc(F)ccc2F)CNC1
InChIInChI=1S/C13H17F2N/c1-9(2)13(7-16-8-13)6-10-5-11(14)3-4-12(10)15/h3-5,9,16H,6-8H2,1-2H3
InChIKeyFMEXJHLZAJAOFO-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,5-difluorophenyl)methyl]-3-propylazetidine
CID 79451845
2-(2,5-difluorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982096
3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine
CID 79460198
N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 62725796
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine
CID 102621650
4-[(2,5-difluorophenyl)methyl]oxan-4-amine
CID 63220413
3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine
CID 105376161
4-[(2,5-difluorophenyl)methyl]piperidine-4-carboxylic acid
CID 55178571
1-fluoro-4-[(1-propan-2-ylcyclopropyl)methyl]benzene
CID 177366781
2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene
CID 106798672
3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine
CID 79451763
2-ethyl-1,4-difluorobenzene
CID 23202513

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methyl]-3-propan-2-ylazetidine?
The IUPAC name of 3-[(2,5-difluorophenyl)methyl]-3-propan-2-ylazetidine (CID 79451244) is 3-[(2,5-difluorophenyl)methyl]-3-propan-2-ylazetidine.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methyl]-3-propan-2-ylazetidine?
The canonical SMILES for 3-[(2,5-difluorophenyl)methyl]-3-propan-2-ylazetidine is CC(C)C1(Cc2cc(F)ccc2F)CNC1.
What is the InChIKey of 3-[(2,5-difluorophenyl)methyl]-3-propan-2-ylazetidine?
The InChIKey is FMEXJHLZAJAOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9(2)13(7-16-8-13)6-10-5-11(14)3-4-12(10)15/h3-5,9,16H,6-8H2,1-2H3.
What are the key properties of 3-[(2,5-difluorophenyl)methyl]-3-propan-2-ylazetidine?
3-[(2,5-difluorophenyl)methyl]-3-propan-2-ylazetidine has a molecular weight of 225.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methyl]-3-propan-2-ylazetidine is sourced from PubChem (CID 79451244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).