4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine

C10H19F2N — CID 89043602

IUPAC4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine
SMILESCCC1CCN(C(C)C)CC1(F)F
InChIInChI=1S/C10H19F2N/c1-4-9-5-6-13(8(2)3)7-10(9,11)12/h8-9H,4-7H2,1-3H3
InChIKeyXYZQQUOZZDDARH-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.76
Rot. Bonds2

About 4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine

4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine (PubChem CID 89043602) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine
PubChem CID89043602
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine
SMILESCCC1CCN(C(C)C)CC1(F)F
InChIInChI=1S/C10H19F2N/c1-4-9-5-6-13(8(2)3)7-10(9,11)12/h8-9H,4-7H2,1-3H3
InChIKeyXYZQQUOZZDDARH-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine?
The IUPAC name of 4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine (CID 89043602) is 4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine?
The canonical SMILES for 4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine is CCC1CCN(C(C)C)CC1(F)F.
What is the InChIKey of 4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine?
The InChIKey is XYZQQUOZZDDARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-4-9-5-6-13(8(2)3)7-10(9,11)12/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine?
4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine has a molecular weight of 191.26 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine is sourced from PubChem (CID 89043602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).