1-tert-butyl-3-fluoroazetidine-2-carboxylic acid

C8H14FNO2 — CID 139341840

IUPAC1-tert-butyl-3-fluoroazetidine-2-carboxylic acid
SMILESCC(C)(C)N1CC(F)C1C(=O)O
InChIInChI=1S/C8H14FNO2/c1-8(2,3)10-4-5(9)6(10)7(11)12/h5-6H,4H2,1-3H3,(H,11,12)
InChIKeyJWXZXNDKHBUZRH-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.89
Rot. Bonds1

About 1-tert-butyl-3-fluoroazetidine-2-carboxylic acid

1-tert-butyl-3-fluoroazetidine-2-carboxylic acid (PubChem CID 139341840) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 1-tert-butyl-3-fluoroazetidine-2-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-3-fluoroazetidine-2-carboxylic acid
PubChem CID139341840
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name1-tert-butyl-3-fluoroazetidine-2-carboxylic acid
SMILESCC(C)(C)N1CC(F)C1C(=O)O
InChIInChI=1S/C8H14FNO2/c1-8(2,3)10-4-5(9)6(10)7(11)12/h5-6H,4H2,1-3H3,(H,11,12)
InChIKeyJWXZXNDKHBUZRH-UHFFFAOYSA-N
XLogP0.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Tert-butylazetidine-2-carboxylic acid
CID 296717
1-(Propan-2-yl)azetidine-2-carboxylic acid
CID 282400
(2R)-1-methylazetidine-2-carboxylic acid
CID 53793599
(2R)-1-propylazetidine-2-carboxylic acid
CID 54144027
(2R)-1-(propan-2-yl)azetidine-2-carboxylic acid
CID 54252462
(2S)-1-(2-fluoroethyl)azetidine-2-carboxylic acid
CID 122170283
1-(Trifluoromethyl)azetidine-2-carboxylic acid
CID 122442203
2-(3-Fluoro-1-propan-2-ylazetidin-3-yl)acetic acid
CID 134533991
1-(2-Fluoroethyl)azetidine-2-carboxylic acid
CID 137706323
3-Fluoro-1-propan-2-ylazetidine-2-carboxylic acid
CID 139341636
1-Ethyl-3-fluoroazetidine-2-carboxylic acid
CID 155049748
2-(1-Tert-butyl-3-fluoroazetidin-3-yl)acetic acid
CID 162475432

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-fluoroazetidine-2-carboxylic acid?
The IUPAC name of 1-tert-butyl-3-fluoroazetidine-2-carboxylic acid (CID 139341840) is 1-tert-butyl-3-fluoroazetidine-2-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-3-fluoroazetidine-2-carboxylic acid?
The canonical SMILES for 1-tert-butyl-3-fluoroazetidine-2-carboxylic acid is CC(C)(C)N1CC(F)C1C(=O)O.
What is the InChIKey of 1-tert-butyl-3-fluoroazetidine-2-carboxylic acid?
The InChIKey is JWXZXNDKHBUZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-8(2,3)10-4-5(9)6(10)7(11)12/h5-6H,4H2,1-3H3,(H,11,12).
What are the key properties of 1-tert-butyl-3-fluoroazetidine-2-carboxylic acid?
1-tert-butyl-3-fluoroazetidine-2-carboxylic acid has a molecular weight of 175.20 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-fluoroazetidine-2-carboxylic acid is sourced from PubChem (CID 139341840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).