(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C12H14FNO2 — CID 66262037

IUPAC(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CC[C@@H](O)C2)cc1F
InChIInChI=1S/C12H14FNO2/c1-8-2-3-9(6-11(8)13)12(16)14-5-4-10(15)7-14/h2-3,6,10,15H,4-5,7H2,1H3/t10-/m1/s1
InChIKeyKAADBDQQWYTHBY-SNVBAGLBSA-N
MW223.25 g/mol
LogP1.34
Rot. Bonds1

About (3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 66262037) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID66262037
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CC[C@@H](O)C2)cc1F
InChIInChI=1S/C12H14FNO2/c1-8-2-3-9(6-11(8)13)12(16)14-5-4-10(15)7-14/h2-3,6,10,15H,4-5,7H2,1H3/t10-/m1/s1
InChIKeyKAADBDQQWYTHBY-SNVBAGLBSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone
CID 143518855
(4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 94895188
(4-hydroxy-3-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 59238538
(4-bromo-3-methylpiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 114683526
(3-chloropiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 63393138
(3-bromo-4-fluorophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71922611
(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119374600
(4-fluoro-3-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002014
(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 61297571
(3-fluoro-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561545
(2,6-difluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 82816607
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-methyl-4-propan-2-ylphenyl)methanone
CID 58969991

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 66262037) is (3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is Cc1ccc(C(=O)N2CC[C@@H](O)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is KAADBDQQWYTHBY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-8-2-3-9(6-11(8)13)12(16)14-5-4-10(15)7-14/h2-3,6,10,15H,4-5,7H2,1H3/t10-/m1/s1.
What are the key properties of (3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 223.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 66262037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).