(2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone

C12H13F2NO — CID 116921363

IUPAC(2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone
SMILESCNCC1(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C12H13F2NO/c1-15-7-12(4-5-12)11(16)9-6-8(13)2-3-10(9)14/h2-3,6,15H,4-5,7H2,1H3
InChIKeyMMQSTLHTDXJBDU-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.15
Rot. Bonds4

About (2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone

(2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone (PubChem CID 116921363) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone
PubChem CID116921363
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone
SMILESCNCC1(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C12H13F2NO/c1-15-7-12(4-5-12)11(16)9-6-8(13)2-3-10(9)14/h2-3,6,15H,4-5,7H2,1H3
InChIKeyMMQSTLHTDXJBDU-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone
CID 116921717
(5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921342
1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one
CID 82112284
N-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183711
(2,5-difluorophenyl)-(3-methylazetidin-3-yl)methanone
CID 131003049
2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide
CID 82112280
(2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone
CID 114284487
1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921378
(2,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79058928
4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide
CID 82115206
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183075
2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide
CID 115271494

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone (CID 116921363) is (2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone is CNCC1(C(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of (2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone?
The InChIKey is MMQSTLHTDXJBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-15-7-12(4-5-12)11(16)9-6-8(13)2-3-10(9)14/h2-3,6,15H,4-5,7H2,1H3.
What are the key properties of (2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone?
(2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone has a molecular weight of 225.24 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone is sourced from PubChem (CID 116921363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).