3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine

C13H18FN — CID 138715501

IUPAC3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine
SMILESCC(C)c1ccc(CN2CC(F)C2)cc1
InChIInChI=1S/C13H18FN/c1-10(2)12-5-3-11(4-6-12)7-15-8-13(14)9-15/h3-6,10,13H,7-9H2,1-2H3
InChIKeyBGZYDGPHJCIHCD-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.96
Rot. Bonds3

About 3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine

3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine (PubChem CID 138715501) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine.

Molecular Properties

Compound Name3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine
PubChem CID138715501
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine
SMILESCC(C)c1ccc(CN2CC(F)C2)cc1
InChIInChI=1S/C13H18FN/c1-10(2)12-5-3-11(4-6-12)7-15-8-13(14)9-15/h3-6,10,13H,7-9H2,1-2H3
InChIKeyBGZYDGPHJCIHCD-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672877
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine
CID 135395442
2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 58659507
(3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 95449204
3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547
3-fluoro-1-(4-propan-2-ylphenyl)azetidine
CID 155453609
4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol
CID 103898354
N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 60820296
3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64831824
1-(2-chloroethyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 55183481
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 81457375

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine?
The IUPAC name of 3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine (CID 138715501) is 3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine.
What is the SMILES notation for 3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine?
The canonical SMILES for 3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine is CC(C)c1ccc(CN2CC(F)C2)cc1.
What is the InChIKey of 3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine?
The InChIKey is BGZYDGPHJCIHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-10(2)12-5-3-11(4-6-12)7-15-8-13(14)9-15/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine?
3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine has a molecular weight of 207.29 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine is sourced from PubChem (CID 138715501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).