(2,2-difluorocyclopropyl)-(3-propan-2-ylpiperidin-1-yl)methanone

C12H19F2NO — CID 58395337

IUPAC(2,2-difluorocyclopropyl)-(3-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCCN(C(=O)C2CC2(F)F)C1
InChIInChI=1S/C12H19F2NO/c1-8(2)9-4-3-5-15(7-9)11(16)10-6-12(10,13)14/h8-10H,3-7H2,1-2H3
InChIKeyPNWHPBMQCWRYBG-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.54
Rot. Bonds2

About (2,2-difluorocyclopropyl)-(3-propan-2-ylpiperidin-1-yl)methanone

(2,2-difluorocyclopropyl)-(3-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 58395337) has the molecular formula C12H19F2NO and a molecular weight of 231.29 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)-(3-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)-(3-propan-2-ylpiperidin-1-yl)methanone
PubChem CID58395337
Molecular FormulaC12H19F2NO
Molecular Weight231.29 g/mol
Exact Mass231.14
IUPAC Name(2,2-difluorocyclopropyl)-(3-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCCN(C(=O)C2CC2(F)F)C1
InChIInChI=1S/C12H19F2NO/c1-8(2)9-4-3-5-15(7-9)11(16)10-6-12(10,13)14/h8-10H,3-7H2,1-2H3
InChIKeyPNWHPBMQCWRYBG-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)-(3-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2,2-difluorocyclopropyl)-(3-propan-2-ylpiperidin-1-yl)methanone (CID 58395337) is (2,2-difluorocyclopropyl)-(3-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,2-difluorocyclopropyl)-(3-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2,2-difluorocyclopropyl)-(3-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCCN(C(=O)C2CC2(F)F)C1.
What is the InChIKey of (2,2-difluorocyclopropyl)-(3-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is PNWHPBMQCWRYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO/c1-8(2)9-4-3-5-15(7-9)11(16)10-6-12(10,13)14/h8-10H,3-7H2,1-2H3.
What are the key properties of (2,2-difluorocyclopropyl)-(3-propan-2-ylpiperidin-1-yl)methanone?
(2,2-difluorocyclopropyl)-(3-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 231.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)-(3-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 58395337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).