(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone

C12H14FNO — CID 116569947

IUPAC(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1(C(=O)c2ccc(F)cc2)CCNC1
InChIInChI=1S/C12H14FNO/c1-12(6-7-14-8-12)11(15)9-2-4-10(13)5-3-9/h2-5,14H,6-8H2,1H3
InChIKeyIZXCELQDFWZQNL-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.01
Rot. Bonds2

About (4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone

(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 116569947) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is (4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone
PubChem CID116569947
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1(C(=O)c2ccc(F)cc2)CCNC1
InChIInChI=1S/C12H14FNO/c1-12(6-7-14-8-12)11(15)9-2-4-10(13)5-3-9/h2-5,14H,6-8H2,1H3
InChIKeyIZXCELQDFWZQNL-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570075
(4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 86614571
(4-methylphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569340
(3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567488
N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63138507
4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid
CID 69121595
(4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569568
(3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570011
(3-methylazetidin-3-yl)-(4-methylphenyl)methanone
CID 131000770
(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580446
furan-2-yl-(3-methylpyrrolidin-3-yl)methanone
CID 116570107
N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride
CID 119702993

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone (CID 116569947) is (4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone is CC1(C(=O)c2ccc(F)cc2)CCNC1.
What is the InChIKey of (4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is IZXCELQDFWZQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-12(6-7-14-8-12)11(15)9-2-4-10(13)5-3-9/h2-5,14H,6-8H2,1H3.
What are the key properties of (4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone?
(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 207.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 116569947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).