(2S)-1,1,1-trifluoro-3-(3-propan-2-ylazetidin-1-yl)propan-2-ol

C9H16F3NO — CID 71288935

IUPAC(2S)-1,1,1-trifluoro-3-(3-propan-2-ylazetidin-1-yl)propan-2-ol
SMILESCC(C)C1CN(C[C@H](O)C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-6(2)7-3-13(4-7)5-8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyKKTXDVKFARSZIN-QMMMGPOBSA-N
MW211.23 g/mol
LogP1.50
Rot. Bonds3

About (2S)-1,1,1-trifluoro-3-(3-propan-2-ylazetidin-1-yl)propan-2-ol

(2S)-1,1,1-trifluoro-3-(3-propan-2-ylazetidin-1-yl)propan-2-ol (PubChem CID 71288935) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-(3-propan-2-ylazetidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-(3-propan-2-ylazetidin-1-yl)propan-2-ol
PubChem CID71288935
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name(2S)-1,1,1-trifluoro-3-(3-propan-2-ylazetidin-1-yl)propan-2-ol
SMILESCC(C)C1CN(C[C@H](O)C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-6(2)7-3-13(4-7)5-8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyKKTXDVKFARSZIN-QMMMGPOBSA-N
XLogP1.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-(3-propan-2-ylazetidin-1-yl)propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-(3-propan-2-ylazetidin-1-yl)propan-2-ol (CID 71288935) is (2S)-1,1,1-trifluoro-3-(3-propan-2-ylazetidin-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-(3-propan-2-ylazetidin-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-(3-propan-2-ylazetidin-1-yl)propan-2-ol is CC(C)C1CN(C[C@H](O)C(F)(F)F)C1.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-(3-propan-2-ylazetidin-1-yl)propan-2-ol?
The InChIKey is KKTXDVKFARSZIN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6(2)7-3-13(4-7)5-8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-(3-propan-2-ylazetidin-1-yl)propan-2-ol?
(2S)-1,1,1-trifluoro-3-(3-propan-2-ylazetidin-1-yl)propan-2-ol has a molecular weight of 211.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-(3-propan-2-ylazetidin-1-yl)propan-2-ol is sourced from PubChem (CID 71288935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).