N-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide

C8H14F2N2O — CID 167134973

IUPACN-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide
SMILESCC[C@@H](C)NC(=O)N1CC(F)(F)C1
InChIInChI=1S/C8H14F2N2O/c1-3-6(2)11-7(13)12-4-8(9,10)5-12/h6H,3-5H2,1-2H3,(H,11,13)/t6-/m1/s1
InChIKeyDDUYUDVEDKNIEX-ZCFIWIBFSA-N
MW192.21 g/mol
LogP1.45
Rot. Bonds2

About N-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide

N-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide (PubChem CID 167134973) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide
PubChem CID167134973
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC NameN-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide
SMILESCC[C@@H](C)NC(=O)N1CC(F)(F)C1
InChIInChI=1S/C8H14F2N2O/c1-3-6(2)11-7(13)12-4-8(9,10)5-12/h6H,3-5H2,1-2H3,(H,11,13)/t6-/m1/s1
InChIKeyDDUYUDVEDKNIEX-ZCFIWIBFSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide (CID 167134973) is N-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide is CC[C@@H](C)NC(=O)N1CC(F)(F)C1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide?
The InChIKey is DDUYUDVEDKNIEX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14F2N2O/c1-3-6(2)11-7(13)12-4-8(9,10)5-12/h6H,3-5H2,1-2H3,(H,11,13)/t6-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide?
N-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide has a molecular weight of 192.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide is sourced from PubChem (CID 167134973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).