(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine

C7H12F3N — CID 146615150

IUPAC(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine
SMILESCC(C)N1CC[C@H]1C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-5(2)11-4-3-6(11)7(8,9)10/h5-6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyFKWNNCYTSQAHRM-LURJTMIESA-N
MW167.17 g/mol
LogP2.03
Rot. Bonds1

About (2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine

(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine (PubChem CID 146615150) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is (2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine.

Molecular Properties

Compound Name(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine
PubChem CID146615150
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine
SMILESCC(C)N1CC[C@H]1C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-5(2)11-4-3-6(11)7(8,9)10/h5-6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyFKWNNCYTSQAHRM-LURJTMIESA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine?
The IUPAC name of (2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine (CID 146615150) is (2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine.
What is the SMILES notation for (2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine?
The canonical SMILES for (2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine is CC(C)N1CC[C@H]1C(F)(F)F.
What is the InChIKey of (2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine?
The InChIKey is FKWNNCYTSQAHRM-LURJTMIESA-N. The full InChI is InChI=1S/C7H12F3N/c1-5(2)11-4-3-6(11)7(8,9)10/h5-6H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine?
(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine has a molecular weight of 167.17 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine is sourced from PubChem (CID 146615150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).