(2-fluoro-3-methylphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

C14H18FNO2 — CID 81477658

IUPAC(2-fluoro-3-methylphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CC(O)(C(C)C)C2)c1F
InChIInChI=1S/C14H18FNO2/c1-9(2)14(18)7-16(8-14)13(17)11-6-4-5-10(3)12(11)15/h4-6,9,18H,7-8H2,1-3H3
InChIKeyHGUWXMMJYMCQJD-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.98
Rot. Bonds2

About (2-fluoro-3-methylphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

(2-fluoro-3-methylphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (PubChem CID 81477658) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (2-fluoro-3-methylphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-3-methylphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
PubChem CID81477658
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(2-fluoro-3-methylphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CC(O)(C(C)C)C2)c1F
InChIInChI=1S/C14H18FNO2/c1-9(2)14(18)7-16(8-14)13(17)11-6-4-5-10(3)12(11)15/h4-6,9,18H,7-8H2,1-3H3
InChIKeyHGUWXMMJYMCQJD-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methylphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The IUPAC name of (2-fluoro-3-methylphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (CID 81477658) is (2-fluoro-3-methylphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-3-methylphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-3-methylphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is Cc1cccc(C(=O)N2CC(O)(C(C)C)C2)c1F.
What is the InChIKey of (2-fluoro-3-methylphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The InChIKey is HGUWXMMJYMCQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9(2)14(18)7-16(8-14)13(17)11-6-4-5-10(3)12(11)15/h4-6,9,18H,7-8H2,1-3H3.
What are the key properties of (2-fluoro-3-methylphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
(2-fluoro-3-methylphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone has a molecular weight of 251.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methylphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 81477658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).