N-(2,2-difluoro-3-hydroxypropyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C11H20F2N2O2 — CID 114154216

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NCC(F)(F)CO)CCNC1
InChIInChI=1S/C11H20F2N2O2/c1-8(2)10(3-4-14-5-10)9(17)15-6-11(12,13)7-16/h8,14,16H,3-7H2,1-2H3,(H,15,17)
InChIKeyRVXAIESCDCMQOK-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.37
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 114154216) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID114154216
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NCC(F)(F)CO)CCNC1
InChIInChI=1S/C11H20F2N2O2/c1-8(2)10(3-4-14-5-10)9(17)15-6-11(12,13)7-16/h8,14,16H,3-7H2,1-2H3,(H,15,17)
InChIKeyRVXAIESCDCMQOK-UHFFFAOYSA-N
XLogP0.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 114154216) is N-(2,2-difluoro-3-hydroxypropyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)NCC(F)(F)CO)CCNC1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is RVXAIESCDCMQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-8(2)10(3-4-14-5-10)9(17)15-6-11(12,13)7-16/h8,14,16H,3-7H2,1-2H3,(H,15,17).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 250.29 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114154216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).