pyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone

C9H12F3NO — CID 130382404

IUPACpyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESO=C(N1CCCC1)C1(C(F)(F)F)CC1
InChIInChI=1S/C9H12F3NO/c10-9(11,12)8(3-4-8)7(14)13-5-1-2-6-13/h1-6H2
InChIKeyKEIUPGJGKVTBBA-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.95
Rot. Bonds1

About pyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone

pyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 130382404) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is pyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID130382404
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Namepyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESO=C(N1CCCC1)C1(C(F)(F)F)CC1
InChIInChI=1S/C9H12F3NO/c10-9(11,12)8(3-4-8)7(14)13-5-1-2-6-13/h1-6H2
InChIKeyKEIUPGJGKVTBBA-UHFFFAOYSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of pyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone (CID 130382404) is pyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone is O=C(N1CCCC1)C1(C(F)(F)F)CC1.
What is the InChIKey of pyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is KEIUPGJGKVTBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c10-9(11,12)8(3-4-8)7(14)13-5-1-2-6-13/h1-6H2.
What are the key properties of pyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone?
pyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 207.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 130382404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).