(5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone

C13H13ClF3NO2 — CID 136533613

IUPAC(5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCC(O)(C(F)F)CC1
InChIInChI=1S/C13H13ClF3NO2/c14-8-1-2-10(15)9(7-8)11(19)18-5-3-13(20,4-6-18)12(16)17/h1-2,7,12,20H,3-6H2
InChIKeyRQAAKXXAXKXGLH-UHFFFAOYSA-N
MW307.70 g/mol
LogP2.71
Rot. Bonds2

About (5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone

(5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone (PubChem CID 136533613) has the molecular formula C13H13ClF3NO2 and a molecular weight of 307.70 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone
PubChem CID136533613
Molecular FormulaC13H13ClF3NO2
Molecular Weight307.70 g/mol
Exact Mass307.06
IUPAC Name(5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCC(O)(C(F)F)CC1
InChIInChI=1S/C13H13ClF3NO2/c14-8-1-2-10(15)9(7-8)11(19)18-5-3-13(20,4-6-18)12(16)17/h1-2,7,12,20H,3-6H2
InChIKeyRQAAKXXAXKXGLH-UHFFFAOYSA-N
XLogP2.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.70
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
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(5-chloro-2-fluorophenyl)-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
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(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone
CID 58290377
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850151
(5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone
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(5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
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CID 56899230

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone (CID 136533613) is (5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone is O=C(c1cc(Cl)ccc1F)N1CCC(O)(C(F)F)CC1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone?
The InChIKey is RQAAKXXAXKXGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3NO2/c14-8-1-2-10(15)9(7-8)11(19)18-5-3-13(20,4-6-18)12(16)17/h1-2,7,12,20H,3-6H2.
What are the key properties of (5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone?
(5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone has a molecular weight of 307.70 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 136533613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).