3-(1-fluoroethyl)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide

C11H21FN2O — CID 165064974

IUPAC3-(1-fluoroethyl)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
SMILESCC(F)C1CN(C(=O)N[C@H](C)C(C)C)C1
InChIInChI=1S/C11H21FN2O/c1-7(2)9(4)13-11(15)14-5-10(6-14)8(3)12/h7-10H,5-6H2,1-4H3,(H,13,15)/t8?,9-/m1/s1
InChIKeyWLIHNMLMEICMJL-YGPZHTELSA-N
MW216.30 g/mol
LogP2.03
Rot. Bonds3

About 3-(1-fluoroethyl)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide

3-(1-fluoroethyl)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide (PubChem CID 165064974) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(1-fluoroethyl)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
PubChem CID165064974
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name3-(1-fluoroethyl)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
SMILESCC(F)C1CN(C(=O)N[C@H](C)C(C)C)C1
InChIInChI=1S/C11H21FN2O/c1-7(2)9(4)13-11(15)14-5-10(6-14)8(3)12/h7-10H,5-6H2,1-4H3,(H,13,15)/t8?,9-/m1/s1
InChIKeyWLIHNMLMEICMJL-YGPZHTELSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide
CID 165139077
3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen
CID 165139144
N-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide
CID 167134973
3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 167135157
N-[(2R)-butan-2-yl]-3-(difluoromethyl)azetidine-1-carboxamide
CID 167135164
(3S)-3-fluoro-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide
CID 167135356
N-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide
CID 170220583
1,1-Dimethyl-3-(3-methylbutyl)urea
CID 19801237
1-Methyl-1-(3-methylbutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115583966
3-amino-3-propan-2-yl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
CID 116013606
1-[(3-Aminocyclobutyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 116013609
1-(4-Amino-3-methylbutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116187741

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide?
The IUPAC name of 3-(1-fluoroethyl)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide (CID 165064974) is 3-(1-fluoroethyl)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(1-fluoroethyl)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide?
The canonical SMILES for 3-(1-fluoroethyl)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide is CC(F)C1CN(C(=O)N[C@H](C)C(C)C)C1.
What is the InChIKey of 3-(1-fluoroethyl)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide?
The InChIKey is WLIHNMLMEICMJL-YGPZHTELSA-N. The full InChI is InChI=1S/C11H21FN2O/c1-7(2)9(4)13-11(15)14-5-10(6-14)8(3)12/h7-10H,5-6H2,1-4H3,(H,13,15)/t8?,9-/m1/s1.
What are the key properties of 3-(1-fluoroethyl)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide?
3-(1-fluoroethyl)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide has a molecular weight of 216.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide is sourced from PubChem (CID 165064974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).