1-tert-butyl-3-(difluoromethyl)piperidine

C10H19F2N — CID 176615633

IUPAC1-tert-butyl-3-(difluoromethyl)piperidine
SMILESCC(C)(C)N1CCCC(C(F)F)C1
InChIInChI=1S/C10H19F2N/c1-10(2,3)13-6-4-5-8(7-13)9(11)12/h8-9H,4-7H2,1-3H3
InChIKeyRMCUTHUUKXRBCD-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.76
Rot. Bonds1

About 1-tert-butyl-3-(difluoromethyl)piperidine

1-tert-butyl-3-(difluoromethyl)piperidine (PubChem CID 176615633) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 1-tert-butyl-3-(difluoromethyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-3-(difluoromethyl)piperidine
PubChem CID176615633
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name1-tert-butyl-3-(difluoromethyl)piperidine
SMILESCC(C)(C)N1CCCC(C(F)F)C1
InChIInChI=1S/C10H19F2N/c1-10(2,3)13-6-4-5-8(7-13)9(11)12/h8-9H,4-7H2,1-3H3
InChIKeyRMCUTHUUKXRBCD-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(difluoromethyl)piperidine?
The IUPAC name of 1-tert-butyl-3-(difluoromethyl)piperidine (CID 176615633) is 1-tert-butyl-3-(difluoromethyl)piperidine.
What is the SMILES notation for 1-tert-butyl-3-(difluoromethyl)piperidine?
The canonical SMILES for 1-tert-butyl-3-(difluoromethyl)piperidine is CC(C)(C)N1CCCC(C(F)F)C1.
What is the InChIKey of 1-tert-butyl-3-(difluoromethyl)piperidine?
The InChIKey is RMCUTHUUKXRBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-10(2,3)13-6-4-5-8(7-13)9(11)12/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(difluoromethyl)piperidine?
1-tert-butyl-3-(difluoromethyl)piperidine has a molecular weight of 191.26 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(difluoromethyl)piperidine is sourced from PubChem (CID 176615633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).