3-(fluoromethyl)-1-propan-2-ylazetidine

C7H14FN — CID 118375071

IUPAC3-(fluoromethyl)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(CF)C1
InChIInChI=1S/C7H14FN/c1-6(2)9-4-7(3-8)5-9/h6-7H,3-5H2,1-2H3
InChIKeyIYKXQXKPOQCGRD-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.30
Rot. Bonds2

About 3-(fluoromethyl)-1-propan-2-ylazetidine

3-(fluoromethyl)-1-propan-2-ylazetidine (PubChem CID 118375071) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-(fluoromethyl)-1-propan-2-ylazetidine
PubChem CID118375071
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name3-(fluoromethyl)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(CF)C1
InChIInChI=1S/C7H14FN/c1-6(2)9-4-7(3-8)5-9/h6-7H,3-5H2,1-2H3
InChIKeyIYKXQXKPOQCGRD-UHFFFAOYSA-N
XLogP1.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine
CID 145315824
1-propan-2-ylazetidin-3-amine;hydrochloride
CID 134588428
ethane;(1-propan-2-ylazetidin-3-yl)methanol
CID 156813140
3-(difluoromethoxymethyl)-1-propan-2-ylazetidine
CID 165149979
3-(fluoromethyl)-1-iodoazetidine
CID 118372813
2-[3-(fluoromethyl)azetidin-1-yl]-3-methylhexan-1-ol
CID 123492233
3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine
CID 170373804
5-ethyl-1-propan-2-ylpiperidin-3-amine
CID 83989059
3-(3,3-dimethylbutyl)-1-propan-2-ylazetidine
CID 176760635
3-(ethoxymethyl)-1-propan-2-ylazetidine
CID 89024945
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
3-ethyl-5-methyl-1-propan-2-ylpiperidine
CID 20730096

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-propan-2-ylazetidine?
The IUPAC name of 3-(fluoromethyl)-1-propan-2-ylazetidine (CID 118375071) is 3-(fluoromethyl)-1-propan-2-ylazetidine.
What is the SMILES notation for 3-(fluoromethyl)-1-propan-2-ylazetidine?
The canonical SMILES for 3-(fluoromethyl)-1-propan-2-ylazetidine is CC(C)N1CC(CF)C1.
What is the InChIKey of 3-(fluoromethyl)-1-propan-2-ylazetidine?
The InChIKey is IYKXQXKPOQCGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-6(2)9-4-7(3-8)5-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-(fluoromethyl)-1-propan-2-ylazetidine?
3-(fluoromethyl)-1-propan-2-ylazetidine has a molecular weight of 131.19 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-propan-2-ylazetidine is sourced from PubChem (CID 118375071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).