(3S)-1-but-1-en-2-yl-3-fluoropiperidine

C9H16FN — CID 174317895

IUPAC(3S)-1-but-1-en-2-yl-3-fluoropiperidine
SMILESC=C(CC)N1CCC[C@H](F)C1
InChIInChI=1S/C9H16FN/c1-3-8(2)11-6-4-5-9(10)7-11/h9H,2-7H2,1H3/t9-/m0/s1
InChIKeyHONRTUKARFPVRF-VIFPVBQESA-N
MW157.23 g/mol
LogP2.34
Rot. Bonds2

About (3S)-1-but-1-en-2-yl-3-fluoropiperidine

(3S)-1-but-1-en-2-yl-3-fluoropiperidine (PubChem CID 174317895) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (3S)-1-but-1-en-2-yl-3-fluoropiperidine.

Molecular Properties

Compound Name(3S)-1-but-1-en-2-yl-3-fluoropiperidine
PubChem CID174317895
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(3S)-1-but-1-en-2-yl-3-fluoropiperidine
SMILESC=C(CC)N1CCC[C@H](F)C1
InChIInChI=1S/C9H16FN/c1-3-8(2)11-6-4-5-9(10)7-11/h9H,2-7H2,1H3/t9-/m0/s1
InChIKeyHONRTUKARFPVRF-VIFPVBQESA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 (3S)-1-but-1-en-2-yl-3-fluoropiperidine?
The IUPAC name of (3S)-1-but-1-en-2-yl-3-fluoropiperidine (CID 174317895) is (3S)-1-but-1-en-2-yl-3-fluoropiperidine.
What is the SMILES notation for (3S)-1-but-1-en-2-yl-3-fluoropiperidine?
The canonical SMILES for (3S)-1-but-1-en-2-yl-3-fluoropiperidine is C=C(CC)N1CCC[C@H](F)C1.
What is the InChIKey of (3S)-1-but-1-en-2-yl-3-fluoropiperidine?
The InChIKey is HONRTUKARFPVRF-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16FN/c1-3-8(2)11-6-4-5-9(10)7-11/h9H,2-7H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-1-but-1-en-2-yl-3-fluoropiperidine?
(3S)-1-but-1-en-2-yl-3-fluoropiperidine has a molecular weight of 157.23 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-but-1-en-2-yl-3-fluoropiperidine is sourced from PubChem (CID 174317895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).