3-(difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine

C10H19F2NO — CID 140959012

IUPAC3-(difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine
SMILESCC(C)OC1(C(F)F)CN(C(C)C)C1
InChIInChI=1S/C10H19F2NO/c1-7(2)13-5-10(6-13,9(11)12)14-8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyLAIFPHAPQMILQC-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.14
Rot. Bonds4

About 3-(difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine

3-(difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine (PubChem CID 140959012) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine
PubChem CID140959012
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3-(difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine
SMILESCC(C)OC1(C(F)F)CN(C(C)C)C1
InChIInChI=1S/C10H19F2NO/c1-7(2)13-5-10(6-13,9(11)12)14-8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyLAIFPHAPQMILQC-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine?
The IUPAC name of 3-(difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine (CID 140959012) is 3-(difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine.
What is the SMILES notation for 3-(difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine?
The canonical SMILES for 3-(difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine is CC(C)OC1(C(F)F)CN(C(C)C)C1.
What is the InChIKey of 3-(difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine?
The InChIKey is LAIFPHAPQMILQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-7(2)13-5-10(6-13,9(11)12)14-8(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-(difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine?
3-(difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine has a molecular weight of 207.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine is sourced from PubChem (CID 140959012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).