3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine

C7H11F4N — CID 166826440

IUPAC3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine
SMILESCC(C)N1CC(F)(C(F)(F)F)C1
InChIInChI=1S/C7H11F4N/c1-5(2)12-3-6(8,4-12)7(9,10)11/h5H,3-4H2,1-2H3
InChIKeyUNBMKDKJTDSTFY-UHFFFAOYSA-N
MW185.16 g/mol
LogP1.98
Rot. Bonds1

About 3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine

3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine (PubChem CID 166826440) has the molecular formula C7H11F4N and a molecular weight of 185.16 g/mol. Its IUPAC name is 3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine
PubChem CID166826440
Molecular FormulaC7H11F4N
Molecular Weight185.16 g/mol
Exact Mass185.08
IUPAC Name3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine
SMILESCC(C)N1CC(F)(C(F)(F)F)C1
InChIInChI=1S/C7H11F4N/c1-5(2)12-3-6(8,4-12)7(9,10)11/h5H,3-4H2,1-2H3
InChIKeyUNBMKDKJTDSTFY-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150
3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine
CID 159310583
3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 135165727
ethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol
CID 168906490
6-fluoro-6-methyl-2-propan-2-yl-2-azaspiro[3.3]heptane
CID 156813146
ethane;2,2,6,6-tetramethyl-4-propan-2-ylmorpholine
CID 178173229
3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine
CID 165149910
5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol
CID 178173049
ethane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 160577480
3-methyl-1-propan-2-ylazetidin-3-ol
CID 58334516
7,7-difluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
CID 157033147
8,8-difluoro-6-propan-2-yl-2,6-diazaspiro[3.4]octane
CID 157032814

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine?
The IUPAC name of 3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine (CID 166826440) is 3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine.
What is the SMILES notation for 3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine?
The canonical SMILES for 3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine is CC(C)N1CC(F)(C(F)(F)F)C1.
What is the InChIKey of 3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine?
The InChIKey is UNBMKDKJTDSTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4N/c1-5(2)12-3-6(8,4-12)7(9,10)11/h5H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine?
3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine has a molecular weight of 185.16 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine is sourced from PubChem (CID 166826440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).