3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine

C14H19ClFN — CID 102621650

IUPAC3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine
SMILESCC(C)CC1(Cc2cc(F)ccc2Cl)CNC1
InChIInChI=1S/C14H19ClFN/c1-10(2)6-14(8-17-9-14)7-11-5-12(16)3-4-13(11)15/h3-5,10,17H,6-9H2,1-2H3
InChIKeyBGWQUBMYUGLDPJ-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.66
Rot. Bonds4

About 3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine

3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine (PubChem CID 102621650) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine.

Molecular Properties

Compound Name3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine
PubChem CID102621650
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine
SMILESCC(C)CC1(Cc2cc(F)ccc2Cl)CNC1
InChIInChI=1S/C14H19ClFN/c1-10(2)6-14(8-17-9-14)7-11-5-12(16)3-4-13(11)15/h3-5,10,17H,6-9H2,1-2H3
InChIKeyBGWQUBMYUGLDPJ-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine
CID 102621652
3-[(4-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine
CID 107898550
3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol
CID 102617348
3-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)azetidine
CID 79451831
3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine
CID 102621662
N-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 102619921
3-[(2-chloro-5-fluorophenyl)methoxy]-3-methylazetidine
CID 102616694
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine
CID 102621675
2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 102619043
1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 83689412
3-[(2,5-difluorophenyl)methyl]-3-propylazetidine
CID 79451845
1-chloro-2-(3-chlorobutyl)-4-fluorobenzene
CID 105395959

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine?
The IUPAC name of 3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine (CID 102621650) is 3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine.
What is the SMILES notation for 3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine?
The canonical SMILES for 3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine is CC(C)CC1(Cc2cc(F)ccc2Cl)CNC1.
What is the InChIKey of 3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine?
The InChIKey is BGWQUBMYUGLDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-10(2)6-14(8-17-9-14)7-11-5-12(16)3-4-13(11)15/h3-5,10,17H,6-9H2,1-2H3.
What are the key properties of 3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine?
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine has a molecular weight of 255.76 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine is sourced from PubChem (CID 102621650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).