1-(2-fluoropropyl)-3-methyl-3-propan-2-ylazetidine

C10H20FN — CID 157231558

IUPAC1-(2-fluoropropyl)-3-methyl-3-propan-2-ylazetidine
SMILESCC(F)CN1CC(C)(C(C)C)C1
InChIInChI=1S/C10H20FN/c1-8(2)10(4)6-12(7-10)5-9(3)11/h8-9H,5-7H2,1-4H3
InChIKeySVAYUZOGINTIJA-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.32
Rot. Bonds3

About 1-(2-fluoropropyl)-3-methyl-3-propan-2-ylazetidine

1-(2-fluoropropyl)-3-methyl-3-propan-2-ylazetidine (PubChem CID 157231558) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 1-(2-fluoropropyl)-3-methyl-3-propan-2-ylazetidine.

Molecular Properties

Compound Name1-(2-fluoropropyl)-3-methyl-3-propan-2-ylazetidine
PubChem CID157231558
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name1-(2-fluoropropyl)-3-methyl-3-propan-2-ylazetidine
SMILESCC(F)CN1CC(C)(C(C)C)C1
InChIInChI=1S/C10H20FN/c1-8(2)10(4)6-12(7-10)5-9(3)11/h8-9H,5-7H2,1-4H3
InChIKeySVAYUZOGINTIJA-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-1-(2-methylpropyl)-3-propan-2-ylazetidine
CID 174321952
1-(2-fluoropropyl)piperidin-4-amine;hydrochloride
CID 67351391
3-(3-methyl-3-propan-2-ylpyrrolidin-1-yl)propanenitrile
CID 170709237
1-(3,3-dimethylazetidin-1-yl)-3-methylbutan-2-amine
CID 79677216
1-(3,3-difluoroazetidin-1-yl)-3-methylbutan-2-ol
CID 167493482
1,1-bis(fluoromethyl)-3-methyl-3-propan-2-ylcyclobutane
CID 138611872
1-(2-hydroxy-3-methylbutyl)-3-methylazetidin-3-ol
CID 130495517
5-methyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
CID 170588923
1-(2-ethylbutyl)-3-propan-2-ylazetidin-3-ol
CID 82930336
1-[3-methyl-1-(2-methylpropyl)azetidin-3-yl]cyclopropan-1-amine
CID 164835781
1-amino-2-(3,3-dimethylazetidin-1-yl)ethanol
CID 167139069
2-(2-methylpropyl)-2-azaspiro[3.3]heptane
CID 118300646

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropropyl)-3-methyl-3-propan-2-ylazetidine?
The IUPAC name of 1-(2-fluoropropyl)-3-methyl-3-propan-2-ylazetidine (CID 157231558) is 1-(2-fluoropropyl)-3-methyl-3-propan-2-ylazetidine.
What is the SMILES notation for 1-(2-fluoropropyl)-3-methyl-3-propan-2-ylazetidine?
The canonical SMILES for 1-(2-fluoropropyl)-3-methyl-3-propan-2-ylazetidine is CC(F)CN1CC(C)(C(C)C)C1.
What is the InChIKey of 1-(2-fluoropropyl)-3-methyl-3-propan-2-ylazetidine?
The InChIKey is SVAYUZOGINTIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-8(2)10(4)6-12(7-10)5-9(3)11/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-(2-fluoropropyl)-3-methyl-3-propan-2-ylazetidine?
1-(2-fluoropropyl)-3-methyl-3-propan-2-ylazetidine has a molecular weight of 173.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropropyl)-3-methyl-3-propan-2-ylazetidine is sourced from PubChem (CID 157231558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).