N-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide

C10H16F2N2O — CID 170220583

IUPACN-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide
SMILESCC(C)C1CN(C(=O)NC2CC2(F)F)C1
InChIInChI=1S/C10H16F2N2O/c1-6(2)7-4-14(5-7)9(15)13-8-3-10(8,11)12/h6-8H,3-5H2,1-2H3,(H,13,15)
InChIKeyZWTIHHBDXSCWOC-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.69
Rot. Bonds2

About N-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide

N-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide (PubChem CID 170220583) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is N-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide
PubChem CID170220583
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC NameN-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide
SMILESCC(C)C1CN(C(=O)NC2CC2(F)F)C1
InChIInChI=1S/C10H16F2N2O/c1-6(2)7-4-14(5-7)9(15)13-8-3-10(8,11)12/h6-8H,3-5H2,1-2H3,(H,13,15)
InChIKeyZWTIHHBDXSCWOC-UHFFFAOYSA-N
XLogP1.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide?
The IUPAC name of N-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide (CID 170220583) is N-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide.
What is the SMILES notation for N-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide?
The canonical SMILES for N-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide is CC(C)C1CN(C(=O)NC2CC2(F)F)C1.
What is the InChIKey of N-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide?
The InChIKey is ZWTIHHBDXSCWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-6(2)7-4-14(5-7)9(15)13-8-3-10(8,11)12/h6-8H,3-5H2,1-2H3,(H,13,15).
What are the key properties of N-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide?
N-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide has a molecular weight of 218.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide is sourced from PubChem (CID 170220583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).