3-(fluoromethyl)-1-propan-2-ylpiperidine

C9H18FN — CID 58029480

IUPAC3-(fluoromethyl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCC(CF)C1
InChIInChI=1S/C9H18FN/c1-8(2)11-5-3-4-9(6-10)7-11/h8-9H,3-7H2,1-2H3
InChIKeyRBPNDSTXCSIGBH-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.08
Rot. Bonds2

About 3-(fluoromethyl)-1-propan-2-ylpiperidine

3-(fluoromethyl)-1-propan-2-ylpiperidine (PubChem CID 58029480) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-(fluoromethyl)-1-propan-2-ylpiperidine
PubChem CID58029480
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name3-(fluoromethyl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCC(CF)C1
InChIInChI=1S/C9H18FN/c1-8(2)11-5-3-4-9(6-10)7-11/h8-9H,3-7H2,1-2H3
InChIKeyRBPNDSTXCSIGBH-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-propan-2-ylpiperidine?
The IUPAC name of 3-(fluoromethyl)-1-propan-2-ylpiperidine (CID 58029480) is 3-(fluoromethyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 3-(fluoromethyl)-1-propan-2-ylpiperidine?
The canonical SMILES for 3-(fluoromethyl)-1-propan-2-ylpiperidine is CC(C)N1CCCC(CF)C1.
What is the InChIKey of 3-(fluoromethyl)-1-propan-2-ylpiperidine?
The InChIKey is RBPNDSTXCSIGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-8(2)11-5-3-4-9(6-10)7-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-(fluoromethyl)-1-propan-2-ylpiperidine?
3-(fluoromethyl)-1-propan-2-ylpiperidine has a molecular weight of 159.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 58029480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).