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

C12H25F2N — CID 178102264

IUPAC4-(1,1-difluoroethyl)-1-propan-2-ylpiperidine;ethane
SMILESCC.CC(C)N1CCC(C(C)(F)F)CC1
InChIInChI=1S/C10H19F2N.C2H6/c1-8(2)13-6-4-9(5-7-13)10(3,11)12;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyCIWMKVDHWTZRMG-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.79
Rot. Bonds2

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

4-(1,1-difluoroethyl)-1-propan-2-ylpiperidine;ethane (PubChem CID 178102264) has the molecular formula C12H25F2N and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-1-propan-2-ylpiperidine;ethane.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-1-propan-2-ylpiperidine;ethane
PubChem CID178102264
Molecular FormulaC12H25F2N
Molecular Weight221.33 g/mol
Exact Mass221.20
IUPAC Name4-(1,1-difluoroethyl)-1-propan-2-ylpiperidine;ethane
SMILESCC.CC(C)N1CCC(C(C)(F)F)CC1
InChIInChI=1S/C10H19F2N.C2H6/c1-8(2)13-6-4-9(5-7-13)10(3,11)12;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyCIWMKVDHWTZRMG-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-1-propan-2-ylpiperidine;ethane?
The IUPAC name of 4-(1,1-difluoroethyl)-1-propan-2-ylpiperidine;ethane (CID 178102264) is 4-(1,1-difluoroethyl)-1-propan-2-ylpiperidine;ethane.
What is the SMILES notation for 4-(1,1-difluoroethyl)-1-propan-2-ylpiperidine;ethane?
The canonical SMILES for 4-(1,1-difluoroethyl)-1-propan-2-ylpiperidine;ethane is CC.CC(C)N1CCC(C(C)(F)F)CC1.
What is the InChIKey of 4-(1,1-difluoroethyl)-1-propan-2-ylpiperidine;ethane?
The InChIKey is CIWMKVDHWTZRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N.C2H6/c1-8(2)13-6-4-9(5-7-13)10(3,11)12;1-2/h8-9H,4-7H2,1-3H3;1-2H3.
What are the key properties of 4-(1,1-difluoroethyl)-1-propan-2-ylpiperidine;ethane?
4-(1,1-difluoroethyl)-1-propan-2-ylpiperidine;ethane has a molecular weight of 221.33 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-1-propan-2-ylpiperidine;ethane is sourced from PubChem (CID 178102264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).