4-cyclopropyl-N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]butanamide

C14H24F2N2O — CID 164630344

IUPAC4-cyclopropyl-N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]butanamide
SMILESO=C(CCCC1CC1)NC[C@H]1CCN(CC(F)F)C1
InChIInChI=1S/C14H24F2N2O/c15-13(16)10-18-7-6-12(9-18)8-17-14(19)3-1-2-11-4-5-11/h11-13H,1-10H2,(H,17,19)/t12-/m1/s1
InChIKeyCGOAXSIKMSGSJE-GFCCVEGCSA-N
MW274.35 g/mol
LogP2.27
Rot. Bonds8

About 4-cyclopropyl-N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]butanamide

4-cyclopropyl-N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]butanamide (PubChem CID 164630344) has the molecular formula C14H24F2N2O and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-cyclopropyl-N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]butanamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]butanamide
PubChem CID164630344
Molecular FormulaC14H24F2N2O
Molecular Weight274.35 g/mol
Exact Mass274.19
IUPAC Name4-cyclopropyl-N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]butanamide
SMILESO=C(CCCC1CC1)NC[C@H]1CCN(CC(F)F)C1
InChIInChI=1S/C14H24F2N2O/c15-13(16)10-18-7-6-12(9-18)8-17-14(19)3-1-2-11-4-5-11/h11-13H,1-10H2,(H,17,19)/t12-/m1/s1
InChIKeyCGOAXSIKMSGSJE-GFCCVEGCSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]butanamide?
The IUPAC name of 4-cyclopropyl-N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]butanamide (CID 164630344) is 4-cyclopropyl-N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]butanamide.
What is the SMILES notation for 4-cyclopropyl-N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]butanamide?
The canonical SMILES for 4-cyclopropyl-N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]butanamide is O=C(CCCC1CC1)NC[C@H]1CCN(CC(F)F)C1.
What is the InChIKey of 4-cyclopropyl-N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]butanamide?
The InChIKey is CGOAXSIKMSGSJE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24F2N2O/c15-13(16)10-18-7-6-12(9-18)8-17-14(19)3-1-2-11-4-5-11/h11-13H,1-10H2,(H,17,19)/t12-/m1/s1.
What are the key properties of 4-cyclopropyl-N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]butanamide?
4-cyclopropyl-N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]butanamide has a molecular weight of 274.35 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]butanamide is sourced from PubChem (CID 164630344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).