1-[(2,4-difluorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile

C12H12F2N2 — CID 116958028

IUPAC1-[(2,4-difluorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
SMILESCNC(c1ccc(F)cc1F)C1(C#N)CC1
InChIInChI=1S/C12H12F2N2/c1-16-11(12(7-15)4-5-12)9-3-2-8(13)6-10(9)14/h2-3,6,11,16H,4-5H2,1H3
InChIKeyPARKVTZDHKTAEA-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.53
Rot. Bonds3

About 1-[(2,4-difluorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile

1-[(2,4-difluorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile (PubChem CID 116958028) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
PubChem CID116958028
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-[(2,4-difluorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
SMILESCNC(c1ccc(F)cc1F)C1(C#N)CC1
InChIInChI=1S/C12H12F2N2/c1-16-11(12(7-15)4-5-12)9-3-2-8(13)6-10(9)14/h2-3,6,11,16H,4-5H2,1H3
InChIKeyPARKVTZDHKTAEA-UHFFFAOYSA-N
XLogP2.53
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066741
1-[(2-chloro-5-fluoro-4-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116958109
1-[(2,4-difluorophenyl)-hydroxymethyl]cyclooctane-1-carbonitrile
CID 80603513
1-[amino-(2,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile
CID 116942939
3-[(2,4-difluorophenyl)-(dimethylamino)methyl]oxetane-3-carbonitrile
CID 116912828
1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116958075
1-[(2,4-difluorophenyl)-hydroxymethyl]-3-ethylcyclopentane-1-carbonitrile
CID 79136634
[(2,4-difluorophenyl)-(1-methylcyclohexyl)methyl]hydrazine
CID 106831197
1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243846
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 115852569
1-[(2,5-difluorophenyl)-hydroxymethyl]cyclobutane-1-carbonitrile
CID 79132656
1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116958024

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(2,4-difluorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile (CID 116958028) is 1-[(2,4-difluorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(2,4-difluorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(2,4-difluorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile is CNC(c1ccc(F)cc1F)C1(C#N)CC1.
What is the InChIKey of 1-[(2,4-difluorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile?
The InChIKey is PARKVTZDHKTAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2/c1-16-11(12(7-15)4-5-12)9-3-2-8(13)6-10(9)14/h2-3,6,11,16H,4-5H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile?
1-[(2,4-difluorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile has a molecular weight of 222.24 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116958028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).