1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine

C10H19F2N — CID 58395062

IUPAC1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CC(F)F)CC1
InChIInChI=1S/C10H19F2N/c1-8(2)9-3-5-13(6-4-9)7-10(11)12/h8-10H,3-7H2,1-2H3
InChIKeyMUVXJLAAPITTLV-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.62
Rot. Bonds3

About 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine

1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine (PubChem CID 58395062) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine
PubChem CID58395062
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CC(F)F)CC1
InChIInChI=1S/C10H19F2N/c1-8(2)9-3-5-13(6-4-9)7-10(11)12/h8-10H,3-7H2,1-2H3
InChIKeyMUVXJLAAPITTLV-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine (CID 58395062) is 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine is CC(C)C1CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine?
The InChIKey is MUVXJLAAPITTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-8(2)9-3-5-13(6-4-9)7-10(11)12/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine?
1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine has a molecular weight of 191.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 58395062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).