1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-(trifluoromethyl)piperidine

C19H35F5N2 — CID 157421987

IUPAC1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-(trifluoromethyl)piperidine
SMILESCC(C)(C)N1CCC(C(F)(F)F)CC1.CC(C)(C)N1CCC(F)(F)CC1
InChIInChI=1S/C10H18F3N.C9H17F2N/c1-9(2,3)14-6-4-8(5-7-14)10(11,12)13;1-8(2,3)12-6-4-9(10,11)5-7-12/h8H,4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyBPNBNJXDFZUAAW-UHFFFAOYSA-N
MW386.49 g/mol
LogP5.58
Rot. Bonds

About 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-(trifluoromethyl)piperidine

1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-(trifluoromethyl)piperidine (PubChem CID 157421987) has the molecular formula C19H35F5N2 and a molecular weight of 386.49 g/mol. Its IUPAC name is 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-(trifluoromethyl)piperidine
PubChem CID157421987
Molecular FormulaC19H35F5N2
Molecular Weight386.49 g/mol
Exact Mass386.27
IUPAC Name1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-(trifluoromethyl)piperidine
SMILESCC(C)(C)N1CCC(C(F)(F)F)CC1.CC(C)(C)N1CCC(F)(F)CC1
InChIInChI=1S/C10H18F3N.C9H17F2N/c1-9(2,3)14-6-4-8(5-7-14)10(11,12)13;1-8(2,3)12-6-4-9(10,11)5-7-12/h8H,4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyBPNBNJXDFZUAAW-UHFFFAOYSA-N
XLogP5.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-(trifluoromethyl)piperidine (CID 157421987) is 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-(trifluoromethyl)piperidine is CC(C)(C)N1CCC(C(F)(F)F)CC1.CC(C)(C)N1CCC(F)(F)CC1.
What is the InChIKey of 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-(trifluoromethyl)piperidine?
The InChIKey is BPNBNJXDFZUAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N.C9H17F2N/c1-9(2,3)14-6-4-8(5-7-14)10(11,12)13;1-8(2,3)12-6-4-9(10,11)5-7-12/h8H,4-7H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-(trifluoromethyl)piperidine?
1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-(trifluoromethyl)piperidine has a molecular weight of 386.49 g/mol, XLogP of 5.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 157421987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).