1-[(3-chloro-4-fluorophenyl)methyl]azetidine

C10H11ClFN — CID 126990716

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]azetidine
SMILESFc1ccc(CN2CCC2)cc1Cl
InChIInChI=1S/C10H11ClFN/c11-9-6-8(2-3-10(9)12)7-13-4-1-5-13/h2-3,6H,1,4-5,7H2
InChIKeyMEIAFVIBBRSSKQ-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.68
Rot. Bonds2

About 1-[(3-chloro-4-fluorophenyl)methyl]azetidine

1-[(3-chloro-4-fluorophenyl)methyl]azetidine (PubChem CID 126990716) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]azetidine.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]azetidine
PubChem CID126990716
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]azetidine
SMILESFc1ccc(CN2CCC2)cc1Cl
InChIInChI=1S/C10H11ClFN/c11-9-6-8(2-3-10(9)12)7-13-4-1-5-13/h2-3,6H,1,4-5,7H2
InChIKeyMEIAFVIBBRSSKQ-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloroethyl)-4-[(3-chloro-4-fluorophenyl)methyl]-1,4-diazepane
CID 103041322
1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
(3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine
CID 24904788
1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 22195379
1-[(3-chloro-4-fluorophenyl)methyl]piperidine-4-carbothioamide
CID 103038018
1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol
CID 70735974
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
2-fluoro-5-(pyrrolidin-1-ylmethyl)phenol
CID 117221584
1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 22194716
N-[[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103038269
9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64952975
(3S)-3-bromo-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-one
CID 86327531

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]azetidine?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]azetidine (CID 126990716) is 1-[(3-chloro-4-fluorophenyl)methyl]azetidine.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]azetidine?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]azetidine is Fc1ccc(CN2CCC2)cc1Cl.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]azetidine?
The InChIKey is MEIAFVIBBRSSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN/c11-9-6-8(2-3-10(9)12)7-13-4-1-5-13/h2-3,6H,1,4-5,7H2.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]azetidine?
1-[(3-chloro-4-fluorophenyl)methyl]azetidine has a molecular weight of 199.66 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]azetidine is sourced from PubChem (CID 126990716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).