(2E)-2-fluoro-2-piperidin-3-ylideneethanol

C7H12FNO — CID 68525091

IUPAC(2E)-2-fluoro-2-piperidin-3-ylideneethanol
SMILESOC/C(F)=C1/CCCNC1
InChIInChI=1S/C7H12FNO/c8-7(5-10)6-2-1-3-9-4-6/h9-10H,1-5H2/b7-6+
InChIKeyXVSFAPYVEWKFIS-VOTSOKGWSA-N
MW145.18 g/mol
LogP0.59
Rot. Bonds1

About (2E)-2-fluoro-2-piperidin-3-ylideneethanol

(2E)-2-fluoro-2-piperidin-3-ylideneethanol (PubChem CID 68525091) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is (2E)-2-fluoro-2-piperidin-3-ylideneethanol.

Molecular Properties

Compound Name(2E)-2-fluoro-2-piperidin-3-ylideneethanol
PubChem CID68525091
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name(2E)-2-fluoro-2-piperidin-3-ylideneethanol
SMILESOC/C(F)=C1/CCCNC1
InChIInChI=1S/C7H12FNO/c8-7(5-10)6-2-1-3-9-4-6/h9-10H,1-5H2/b7-6+
InChIKeyXVSFAPYVEWKFIS-VOTSOKGWSA-N
XLogP0.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-fluoro-2-piperidin-3-ylideneethanol?
The IUPAC name of (2E)-2-fluoro-2-piperidin-3-ylideneethanol (CID 68525091) is (2E)-2-fluoro-2-piperidin-3-ylideneethanol.
What is the SMILES notation for (2E)-2-fluoro-2-piperidin-3-ylideneethanol?
The canonical SMILES for (2E)-2-fluoro-2-piperidin-3-ylideneethanol is OC/C(F)=C1/CCCNC1.
What is the InChIKey of (2E)-2-fluoro-2-piperidin-3-ylideneethanol?
The InChIKey is XVSFAPYVEWKFIS-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H12FNO/c8-7(5-10)6-2-1-3-9-4-6/h9-10H,1-5H2/b7-6+.
What are the key properties of (2E)-2-fluoro-2-piperidin-3-ylideneethanol?
(2E)-2-fluoro-2-piperidin-3-ylideneethanol has a molecular weight of 145.18 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-fluoro-2-piperidin-3-ylideneethanol is sourced from PubChem (CID 68525091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).