N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide

C6H9F3N2O — CID 130157470

IUPACN-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC1
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)4-10-5(12)11-2-1-3-11/h1-4H2,(H,10,12)
InChIKeyMSPJWODFQZWYHW-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.96
Rot. Bonds1

About N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide

N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide (PubChem CID 130157470) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
PubChem CID130157470
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC NameN-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC1
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)4-10-5(12)11-2-1-3-11/h1-4H2,(H,10,12)
InChIKeyMSPJWODFQZWYHW-UHFFFAOYSA-N
XLogP0.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Bis(2,3,3-trifluoropropyl)urea
CID 22005457
1-Propyl-3-(2,2,2-trifluoroethyl)urea
CID 54195899
N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide
CID 69092682
1-Ethyl-3-methyl-1-(trifluoromethyl)urea
CID 87182101
1,3-Dimethyl-1-(2,2,2-trifluoroethyl)urea
CID 87182104
1-(Difluoromethyl)-1-ethyl-3-methylurea
CID 87182440
1,3-Bis(3,3,3-trifluoropropyl)urea
CID 88225145
1,1-Dimethyl-3-(2,2,2-trifluoroethyl)urea
CID 115589727
1-(2,2-Difluoroethyl)-1,3-dimethylurea
CID 115612114
3,3-difluoro-N-methylazetidine-1-carboxamide
CID 118395187
3,3-difluoro-N-isopropylazetidine-1-carboxamide
CID 122269482
N-ethyl-3,3-difluoroazetidine-1-carboxamide
CID 122269483

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide (CID 130157470) is N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide is O=C(NCC(F)(F)F)N1CCC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
The InChIKey is MSPJWODFQZWYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c7-6(8,9)4-10-5(12)11-2-1-3-11/h1-4H2,(H,10,12).
What are the key properties of N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide has a molecular weight of 182.14 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide is sourced from PubChem (CID 130157470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).