3-[3-(1,1-difluoroethoxy)phenyl]-1-propan-2-ylazetidine

C14H19F2NO — CID 170218120

IUPAC3-[3-(1,1-difluoroethoxy)phenyl]-1-propan-2-ylazetidine
SMILESCC(C)N1CC(c2cccc(OC(C)(F)F)c2)C1
InChIInChI=1S/C14H19F2NO/c1-10(2)17-8-12(9-17)11-5-4-6-13(7-11)18-14(3,15)16/h4-7,10,12H,8-9H2,1-3H3
InChIKeyDTSKAUVVYXHZHM-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.49
Rot. Bonds4

About 3-[3-(1,1-difluoroethoxy)phenyl]-1-propan-2-ylazetidine

3-[3-(1,1-difluoroethoxy)phenyl]-1-propan-2-ylazetidine (PubChem CID 170218120) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-[3-(1,1-difluoroethoxy)phenyl]-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-[3-(1,1-difluoroethoxy)phenyl]-1-propan-2-ylazetidine
PubChem CID170218120
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name3-[3-(1,1-difluoroethoxy)phenyl]-1-propan-2-ylazetidine
SMILESCC(C)N1CC(c2cccc(OC(C)(F)F)c2)C1
InChIInChI=1S/C14H19F2NO/c1-10(2)17-8-12(9-17)11-5-4-6-13(7-11)18-14(3,15)16/h4-7,10,12H,8-9H2,1-3H3
InChIKeyDTSKAUVVYXHZHM-UHFFFAOYSA-N
XLogP3.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxyphenyl)-1-propan-2-ylazetidine
CID 166469184
3-phenyl-1-propan-2-ylazetidine
CID 23628
1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]azetidine
CID 166468953
3-(1-propan-2-ylazetidin-3-yl)pyridine
CID 58547303
2-[3-(trifluoromethoxy)phenyl]adamantane
CID 91149986
(1S,5R)-6-[3-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 166708564
3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 103902325
(1S,2S,5S)-2-methoxy-N,N-dimethyl-5-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine
CID 153367544
1-methyl-3-(3-propan-2-ylphenyl)azetidine
CID 166510487
tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate
CID 171716686
4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine
CID 83546674
2-methyl-2-[3-[(3S)-1-(4-propan-2-ylphenoxy)carbonylpiperidin-3-yl]phenoxy]propanoic acid
CID 10320203

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,1-difluoroethoxy)phenyl]-1-propan-2-ylazetidine?
The IUPAC name of 3-[3-(1,1-difluoroethoxy)phenyl]-1-propan-2-ylazetidine (CID 170218120) is 3-[3-(1,1-difluoroethoxy)phenyl]-1-propan-2-ylazetidine.
What is the SMILES notation for 3-[3-(1,1-difluoroethoxy)phenyl]-1-propan-2-ylazetidine?
The canonical SMILES for 3-[3-(1,1-difluoroethoxy)phenyl]-1-propan-2-ylazetidine is CC(C)N1CC(c2cccc(OC(C)(F)F)c2)C1.
What is the InChIKey of 3-[3-(1,1-difluoroethoxy)phenyl]-1-propan-2-ylazetidine?
The InChIKey is DTSKAUVVYXHZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10(2)17-8-12(9-17)11-5-4-6-13(7-11)18-14(3,15)16/h4-7,10,12H,8-9H2,1-3H3.
What are the key properties of 3-[3-(1,1-difluoroethoxy)phenyl]-1-propan-2-ylazetidine?
3-[3-(1,1-difluoroethoxy)phenyl]-1-propan-2-ylazetidine has a molecular weight of 255.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,1-difluoroethoxy)phenyl]-1-propan-2-ylazetidine is sourced from PubChem (CID 170218120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).