(4-fluorophenyl)-[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]methanone

C14H17F2NO — CID 139364476

IUPAC(4-fluorophenyl)-[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]methanone
SMILESCC(C)C1CN(C(=O)c2ccc(F)cc2)C[C@@H]1F
InChIInChI=1S/C14H17F2NO/c1-9(2)12-7-17(8-13(12)16)14(18)10-3-5-11(15)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3/t12?,13-/m0/s1
InChIKeyOHERILQACKTLLN-ABLWVSNPSA-N
MW253.29 g/mol
LogP2.89
Rot. Bonds2

About (4-fluorophenyl)-[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]methanone

(4-fluorophenyl)-[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]methanone (PubChem CID 139364476) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]methanone
PubChem CID139364476
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name(4-fluorophenyl)-[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]methanone
SMILESCC(C)C1CN(C(=O)c2ccc(F)cc2)C[C@@H]1F
InChIInChI=1S/C14H17F2NO/c1-9(2)12-7-17(8-13(12)16)14(18)10-3-5-11(15)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3/t12?,13-/m0/s1
InChIKeyOHERILQACKTLLN-ABLWVSNPSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluorophenyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone
CID 139364672
[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone
CID 97377908
1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 42680933
(3-fluoroazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864386
N-[(3R,4S)-4-fluoro-1-(4-fluorobenzoyl)pyrrolidin-3-yl]benzamide
CID 175918447
[(3S,4R)-1-(4-fluorobenzoyl)-4-(4-fluorophenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93151591
(2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 125016909
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
(2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124993020
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
(3S,4S)-1-(4-fluorobenzoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950882

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]methanone (CID 139364476) is (4-fluorophenyl)-[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]methanone is CC(C)C1CN(C(=O)c2ccc(F)cc2)C[C@@H]1F.
What is the InChIKey of (4-fluorophenyl)-[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is OHERILQACKTLLN-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-9(2)12-7-17(8-13(12)16)14(18)10-3-5-11(15)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of (4-fluorophenyl)-[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]methanone?
(4-fluorophenyl)-[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 253.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 139364476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).