(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone

C12H14FNO — CID 116580446

IUPAC(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)c2ccc(F)cc2)CCCN1
InChIInChI=1S/C12H14FNO/c1-12(7-2-8-14-12)11(15)9-3-5-10(13)6-4-9/h3-6,14H,2,7-8H2,1H3
InChIKeyHQTXDQAKUZJBHX-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.15
Rot. Bonds2

About (4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone

(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone (PubChem CID 116580446) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is (4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
PubChem CID116580446
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)c2ccc(F)cc2)CCCN1
InChIInChI=1S/C12H14FNO/c1-12(7-2-8-14-12)11(15)9-3-5-10(13)6-4-9/h3-6,14H,2,7-8H2,1H3
InChIKeyHQTXDQAKUZJBHX-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116614044
(5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580596
[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
CID 107291162
(2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 107514916
(6-chloro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone
CID 90695211
[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
CID 107291161
(3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613962
(2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone
CID 116580427
(3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580557
(2-methylpyrrolidin-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 116580532
2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 102622142
(4-bromo-3-chloro-2-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 106764011

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone (CID 116580446) is (4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone is CC1(C(=O)c2ccc(F)cc2)CCCN1.
What is the InChIKey of (4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone?
The InChIKey is HQTXDQAKUZJBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-12(7-2-8-14-12)11(15)9-3-5-10(13)6-4-9/h3-6,14H,2,7-8H2,1H3.
What are the key properties of (4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone?
(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone has a molecular weight of 207.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 116580446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).