3-fluoro-2-methylidene-1-propan-2-ylpiperidine

C9H16FN — CID 171846776

IUPAC3-fluoro-2-methylidene-1-propan-2-ylpiperidine
SMILESC=C1C(F)CCCN1C(C)C
InChIInChI=1S/C9H16FN/c1-7(2)11-6-4-5-9(10)8(11)3/h7,9H,3-6H2,1-2H3
InChIKeyRDUYQUCOEZNQEC-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.34
Rot. Bonds1

About 3-fluoro-2-methylidene-1-propan-2-ylpiperidine

3-fluoro-2-methylidene-1-propan-2-ylpiperidine (PubChem CID 171846776) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 3-fluoro-2-methylidene-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-fluoro-2-methylidene-1-propan-2-ylpiperidine
PubChem CID171846776
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name3-fluoro-2-methylidene-1-propan-2-ylpiperidine
SMILESC=C1C(F)CCCN1C(C)C
InChIInChI=1S/C9H16FN/c1-7(2)11-6-4-5-9(10)8(11)3/h7,9H,3-6H2,1-2H3
InChIKeyRDUYQUCOEZNQEC-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylidene-1-propan-2-ylpiperidine?
The IUPAC name of 3-fluoro-2-methylidene-1-propan-2-ylpiperidine (CID 171846776) is 3-fluoro-2-methylidene-1-propan-2-ylpiperidine.
What is the SMILES notation for 3-fluoro-2-methylidene-1-propan-2-ylpiperidine?
The canonical SMILES for 3-fluoro-2-methylidene-1-propan-2-ylpiperidine is C=C1C(F)CCCN1C(C)C.
What is the InChIKey of 3-fluoro-2-methylidene-1-propan-2-ylpiperidine?
The InChIKey is RDUYQUCOEZNQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-7(2)11-6-4-5-9(10)8(11)3/h7,9H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-2-methylidene-1-propan-2-ylpiperidine?
3-fluoro-2-methylidene-1-propan-2-ylpiperidine has a molecular weight of 157.23 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylidene-1-propan-2-ylpiperidine is sourced from PubChem (CID 171846776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).