N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide

C7H11F3N2O — CID 69092682

IUPACN-(3,3,3-trifluoropropyl)azetidine-1-carboxamide
SMILESO=C(NCCC(F)(F)F)N1CCC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)2-3-11-6(13)12-4-1-5-12/h1-5H2,(H,11,13)
InChIKeyZGJWZIMSLALDQB-UHFFFAOYSA-N
MW196.17 g/mol
LogP1.35
Rot. Bonds2

About N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide

N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide (PubChem CID 69092682) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)azetidine-1-carboxamide
PubChem CID69092682
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC NameN-(3,3,3-trifluoropropyl)azetidine-1-carboxamide
SMILESO=C(NCCC(F)(F)F)N1CCC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)2-3-11-6(13)12-4-1-5-12/h1-5H2,(H,11,13)
InChIKeyZGJWZIMSLALDQB-UHFFFAOYSA-N
XLogP1.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Bis(2,3,3-trifluoropropyl)urea
CID 22005457
2,3,3-Trifluoropropylurea
CID 22005458
1-Butyl-3-(trifluoromethyl)urea
CID 53881696
1-Propyl-3-(2,2,2-trifluoroethyl)urea
CID 54195899
3,3,3-Trifluoropropylurea
CID 63227307
4,4,4-Trifluorobutylurea
CID 79037549
1-(Difluoromethyl)-3-ethyl-1-methylurea
CID 87181852
3-Ethyl-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 87182338
1,3-Diethyl-1-(trifluoromethyl)urea
CID 87182345
3-Ethyl-1-methyl-1-(trifluoromethyl)urea
CID 87182364
1-(Difluoromethyl)-1,3-diethylurea
CID 87182476
1,3-Bis(3,3,3-trifluoropropyl)urea
CID 88225145

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide (CID 69092682) is N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide is O=C(NCCC(F)(F)F)N1CCC1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide?
The InChIKey is ZGJWZIMSLALDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c8-7(9,10)2-3-11-6(13)12-4-1-5-12/h1-5H2,(H,11,13).
What are the key properties of N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide?
N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide has a molecular weight of 196.17 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide is sourced from PubChem (CID 69092682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).