(3,3-difluoropyrrolidin-1-yl)-(oxan-4-yl)methanone

C10H15F2NO2 — CID 122160391

IUPAC(3,3-difluoropyrrolidin-1-yl)-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC(F)(F)C1
InChIInChI=1S/C10H15F2NO2/c11-10(12)3-4-13(7-10)9(14)8-1-5-15-6-2-8/h8H,1-7H2
InChIKeyQQTCRCNBVNFGAG-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.28
Rot. Bonds1

About (3,3-difluoropyrrolidin-1-yl)-(oxan-4-yl)methanone

(3,3-difluoropyrrolidin-1-yl)-(oxan-4-yl)methanone (PubChem CID 122160391) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-(oxan-4-yl)methanone
PubChem CID122160391
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC(F)(F)C1
InChIInChI=1S/C10H15F2NO2/c11-10(12)3-4-13(7-10)9(14)8-1-5-15-6-2-8/h8H,1-7H2
InChIKeyQQTCRCNBVNFGAG-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-(oxan-4-yl)methanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-(oxan-4-yl)methanone (CID 122160391) is (3,3-difluoropyrrolidin-1-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-(oxan-4-yl)methanone?
The InChIKey is QQTCRCNBVNFGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c11-10(12)3-4-13(7-10)9(14)8-1-5-15-6-2-8/h8H,1-7H2.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-(oxan-4-yl)methanone?
(3,3-difluoropyrrolidin-1-yl)-(oxan-4-yl)methanone has a molecular weight of 219.23 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 122160391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).