N-[1-(difluoromethyl)cyclopropyl]-1-methylpyrrolidine-2-carboxamide

C10H16F2N2O — CID 126768877

IUPACN-[1-(difluoromethyl)cyclopropyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NC1(C(F)F)CC1
InChIInChI=1S/C10H16F2N2O/c1-14-6-2-3-7(14)8(15)13-10(4-5-10)9(11)12/h7,9H,2-6H2,1H3,(H,13,15)
InChIKeyWMHIKBMAWFETEL-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.99
Rot. Bonds3

About N-[1-(difluoromethyl)cyclopropyl]-1-methylpyrrolidine-2-carboxamide

N-[1-(difluoromethyl)cyclopropyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 126768877) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is N-[1-(difluoromethyl)cyclopropyl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)cyclopropyl]-1-methylpyrrolidine-2-carboxamide
PubChem CID126768877
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC NameN-[1-(difluoromethyl)cyclopropyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NC1(C(F)F)CC1
InChIInChI=1S/C10H16F2N2O/c1-14-6-2-3-7(14)8(15)13-10(4-5-10)9(11)12/h7,9H,2-6H2,1H3,(H,13,15)
InChIKeyWMHIKBMAWFETEL-UHFFFAOYSA-N
XLogP0.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)cyclopropyl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(difluoromethyl)cyclopropyl]-1-methylpyrrolidine-2-carboxamide (CID 126768877) is N-[1-(difluoromethyl)cyclopropyl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(difluoromethyl)cyclopropyl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(difluoromethyl)cyclopropyl]-1-methylpyrrolidine-2-carboxamide is CN1CCCC1C(=O)NC1(C(F)F)CC1.
What is the InChIKey of N-[1-(difluoromethyl)cyclopropyl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is WMHIKBMAWFETEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-14-6-2-3-7(14)8(15)13-10(4-5-10)9(11)12/h7,9H,2-6H2,1H3,(H,13,15).
What are the key properties of N-[1-(difluoromethyl)cyclopropyl]-1-methylpyrrolidine-2-carboxamide?
N-[1-(difluoromethyl)cyclopropyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 218.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)cyclopropyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 126768877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).