N-[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]formamide

C9H16F2N2O — CID 134430847

IUPACN-[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]formamide
SMILESCC(C(F)F)N1CCC(NC=O)CC1
InChIInChI=1S/C9H16F2N2O/c1-7(9(10)11)13-4-2-8(3-5-13)12-6-14/h6-9H,2-5H2,1H3,(H,12,14)
InChIKeyQJSUTKYPVJSUPH-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.85
Rot. Bonds4

About N-[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]formamide

N-[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]formamide (PubChem CID 134430847) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is N-[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]formamide.

Molecular Properties

Compound NameN-[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]formamide
PubChem CID134430847
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC NameN-[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]formamide
SMILESCC(C(F)F)N1CCC(NC=O)CC1
InChIInChI=1S/C9H16F2N2O/c1-7(9(10)11)13-4-2-8(3-5-13)12-6-14/h6-9H,2-5H2,1H3,(H,12,14)
InChIKeyQJSUTKYPVJSUPH-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]formamide?
The IUPAC name of N-[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]formamide (CID 134430847) is N-[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]formamide.
What is the SMILES notation for N-[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]formamide?
The canonical SMILES for N-[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]formamide is CC(C(F)F)N1CCC(NC=O)CC1.
What is the InChIKey of N-[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]formamide?
The InChIKey is QJSUTKYPVJSUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-7(9(10)11)13-4-2-8(3-5-13)12-6-14/h6-9H,2-5H2,1H3,(H,12,14).
What are the key properties of N-[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]formamide?
N-[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]formamide has a molecular weight of 206.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]formamide is sourced from PubChem (CID 134430847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).