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

C10H18F3N — CID 122451367

IUPAC(2S)-1,2-di(propan-2-yl)-2-(trifluoromethyl)azetidine
SMILESCC(C)N1CC[C@]1(C(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3N/c1-7(2)9(10(11,12)13)5-6-14(9)8(3)4/h7-8H,5-6H2,1-4H3/t9-/m0/s1
InChIKeyWOQUSAOKYSOEMZ-VIFPVBQESA-N
MW209.25 g/mol
LogP3.06
Rot. Bonds2

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

(2S)-1,2-di(propan-2-yl)-2-(trifluoromethyl)azetidine (PubChem CID 122451367) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S)-1,2-di(propan-2-yl)-2-(trifluoromethyl)azetidine.

Molecular Properties

Compound Name(2S)-1,2-di(propan-2-yl)-2-(trifluoromethyl)azetidine
PubChem CID122451367
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name(2S)-1,2-di(propan-2-yl)-2-(trifluoromethyl)azetidine
SMILESCC(C)N1CC[C@]1(C(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3N/c1-7(2)9(10(11,12)13)5-6-14(9)8(3)4/h7-8H,5-6H2,1-4H3/t9-/m0/s1
InChIKeyWOQUSAOKYSOEMZ-VIFPVBQESA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-di(propan-2-yl)-2-(trifluoromethyl)azetidine?
The IUPAC name of (2S)-1,2-di(propan-2-yl)-2-(trifluoromethyl)azetidine (CID 122451367) is (2S)-1,2-di(propan-2-yl)-2-(trifluoromethyl)azetidine.
What is the SMILES notation for (2S)-1,2-di(propan-2-yl)-2-(trifluoromethyl)azetidine?
The canonical SMILES for (2S)-1,2-di(propan-2-yl)-2-(trifluoromethyl)azetidine is CC(C)N1CC[C@]1(C(C)C)C(F)(F)F.
What is the InChIKey of (2S)-1,2-di(propan-2-yl)-2-(trifluoromethyl)azetidine?
The InChIKey is WOQUSAOKYSOEMZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18F3N/c1-7(2)9(10(11,12)13)5-6-14(9)8(3)4/h7-8H,5-6H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-1,2-di(propan-2-yl)-2-(trifluoromethyl)azetidine?
(2S)-1,2-di(propan-2-yl)-2-(trifluoromethyl)azetidine has a molecular weight of 209.25 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-di(propan-2-yl)-2-(trifluoromethyl)azetidine is sourced from PubChem (CID 122451367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).