3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine

C12H15F2NO — CID 105484527

IUPAC3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine
SMILESCOc1ccccc1C(F)(F)CC1CNC1
InChIInChI=1S/C12H15F2NO/c1-16-11-5-3-2-4-10(11)12(13,14)6-9-7-15-8-9/h2-5,9,15H,6-8H2,1H3
InChIKeyRWXAJWDMIWZSKL-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.40
Rot. Bonds4

About 3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine

3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine (PubChem CID 105484527) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine.

Molecular Properties

Compound Name3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine
PubChem CID105484527
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine
SMILESCOc1ccccc1C(F)(F)CC1CNC1
InChIInChI=1S/C12H15F2NO/c1-16-11-5-3-2-4-10(11)12(13,14)6-9-7-15-8-9/h2-5,9,15H,6-8H2,1H3
InChIKeyRWXAJWDMIWZSKL-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]hydroxylamine
CID 115022771
3-[(2-tert-butylphenoxy)methyl]azetidine
CID 59577199
3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine
CID 107391519
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
3-[difluoro-(2-methoxyphenyl)methyl]piperidine
CID 84728168
3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810049
3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine
CID 116840190
3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine
CID 115042137
2-fluoro-2-(2-methoxyphenyl)propan-1-amine
CID 84718782
3-[2,2-difluoro-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]azetidine
CID 146589281
3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830113
(1R)-N-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 175491862

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine?
The IUPAC name of 3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine (CID 105484527) is 3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine.
What is the SMILES notation for 3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine?
The canonical SMILES for 3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine is COc1ccccc1C(F)(F)CC1CNC1.
What is the InChIKey of 3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine?
The InChIKey is RWXAJWDMIWZSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-16-11-5-3-2-4-10(11)12(13,14)6-9-7-15-8-9/h2-5,9,15H,6-8H2,1H3.
What are the key properties of 3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine?
3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine has a molecular weight of 227.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine is sourced from PubChem (CID 105484527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).