(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroacetaldehyde

C11H20FNO — CID 126752432

IUPAC(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroacetaldehyde
SMILESCC(C)(C)N1CCC([C@H](F)C=O)CC1
InChIInChI=1S/C11H20FNO/c1-11(2,3)13-6-4-9(5-7-13)10(12)8-14/h8-10H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyZGDMPOJQRJUVKS-SNVBAGLBSA-N
MW201.28 g/mol
LogP2.03
Rot. Bonds2

About (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroacetaldehyde

(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroacetaldehyde (PubChem CID 126752432) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroacetaldehyde.

Molecular Properties

Compound Name(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroacetaldehyde
PubChem CID126752432
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroacetaldehyde
SMILESCC(C)(C)N1CCC([C@H](F)C=O)CC1
InChIInChI=1S/C11H20FNO/c1-11(2,3)13-6-4-9(5-7-13)10(12)8-14/h8-10H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyZGDMPOJQRJUVKS-SNVBAGLBSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroacetaldehyde?
The IUPAC name of (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroacetaldehyde (CID 126752432) is (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroacetaldehyde.
What is the SMILES notation for (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroacetaldehyde?
The canonical SMILES for (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroacetaldehyde is CC(C)(C)N1CCC([C@H](F)C=O)CC1.
What is the InChIKey of (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroacetaldehyde?
The InChIKey is ZGDMPOJQRJUVKS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20FNO/c1-11(2,3)13-6-4-9(5-7-13)10(12)8-14/h8-10H,4-7H2,1-3H3/t10-/m1/s1.
What are the key properties of (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroacetaldehyde?
(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroacetaldehyde has a molecular weight of 201.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroacetaldehyde is sourced from PubChem (CID 126752432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).