1-(1,1-difluoropropyl)-4-ethylpiperidine

C10H19F2N — CID 170404290

IUPAC1-(1,1-difluoropropyl)-4-ethylpiperidine
SMILESCCC1CCN(C(F)(F)CC)CC1
InChIInChI=1S/C10H19F2N/c1-3-9-5-7-13(8-6-9)10(11,12)4-2/h9H,3-8H2,1-2H3
InChIKeyWHRYBCODIRWBLQ-UHFFFAOYSA-N
MW191.26 g/mol
LogP3.11
Rot. Bonds3

About 1-(1,1-difluoropropyl)-4-ethylpiperidine

1-(1,1-difluoropropyl)-4-ethylpiperidine (PubChem CID 170404290) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 1-(1,1-difluoropropyl)-4-ethylpiperidine.

Molecular Properties

Compound Name1-(1,1-difluoropropyl)-4-ethylpiperidine
PubChem CID170404290
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name1-(1,1-difluoropropyl)-4-ethylpiperidine
SMILESCCC1CCN(C(F)(F)CC)CC1
InChIInChI=1S/C10H19F2N/c1-3-9-5-7-13(8-6-9)10(11,12)4-2/h9H,3-8H2,1-2H3
InChIKeyWHRYBCODIRWBLQ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropyl)-4-ethylpiperidine?
The IUPAC name of 1-(1,1-difluoropropyl)-4-ethylpiperidine (CID 170404290) is 1-(1,1-difluoropropyl)-4-ethylpiperidine.
What is the SMILES notation for 1-(1,1-difluoropropyl)-4-ethylpiperidine?
The canonical SMILES for 1-(1,1-difluoropropyl)-4-ethylpiperidine is CCC1CCN(C(F)(F)CC)CC1.
What is the InChIKey of 1-(1,1-difluoropropyl)-4-ethylpiperidine?
The InChIKey is WHRYBCODIRWBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-3-9-5-7-13(8-6-9)10(11,12)4-2/h9H,3-8H2,1-2H3.
What are the key properties of 1-(1,1-difluoropropyl)-4-ethylpiperidine?
1-(1,1-difluoropropyl)-4-ethylpiperidine has a molecular weight of 191.26 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropyl)-4-ethylpiperidine is sourced from PubChem (CID 170404290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).