1-[amino-(2,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile

C11H10F2N2 — CID 116942939

IUPAC1-[amino-(2,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(C(N)c2cc(F)ccc2F)CC1
InChIInChI=1S/C11H10F2N2/c12-7-1-2-9(13)8(5-7)10(15)11(6-14)3-4-11/h1-2,5,10H,3-4,15H2
InChIKeyVMGZIGZACIGJTF-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.27
Rot. Bonds2

About 1-[amino-(2,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile

1-[amino-(2,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile (PubChem CID 116942939) has the molecular formula C11H10F2N2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 1-[amino-(2,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[amino-(2,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile
PubChem CID116942939
Molecular FormulaC11H10F2N2
Molecular Weight208.21 g/mol
Exact Mass208.08
IUPAC Name1-[amino-(2,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(C(N)c2cc(F)ccc2F)CC1
InChIInChI=1S/C11H10F2N2/c12-7-1-2-9(13)8(5-7)10(15)11(6-14)3-4-11/h1-2,5,10H,3-4,15H2
InChIKeyVMGZIGZACIGJTF-UHFFFAOYSA-N
XLogP2.27
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[amino-(2,5-difluorophenyl)methyl]oxetane-3-carbonitrile
CID 116944480
1-[(2,5-difluorophenyl)-hydroxymethyl]cyclobutane-1-carbonitrile
CID 79132656
1-[(2,5-difluorophenyl)-hydroxymethyl]cyclohexane-1-carbonitrile
CID 79132900
(2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile
CID 51887355
1-[amino-(3-fluorophenyl)methyl]cyclobutane-1-carbonitrile
CID 116943746
1-[amino-(2,5-difluoro-4-methoxyphenyl)methyl]cyclobutane-1-carbonitrile
CID 116943739
1-[(2,4-difluorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116958028
1-[amino-(3-chloro-4-fluorophenyl)methyl]cyclobutane-1-carbonitrile
CID 116943715
1-[amino-(2-methylphenyl)methyl]cyclopropane-1-carbonitrile
CID 116943013
1-[(2,4-difluorophenyl)-hydroxymethyl]cyclooctane-1-carbonitrile
CID 80603513
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
1-[amino-(2,4-difluorophenyl)methyl]cyclopropan-1-amine
CID 116947042

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(2,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[amino-(2,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile (CID 116942939) is 1-[amino-(2,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[amino-(2,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[amino-(2,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile is N#CC1(C(N)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-[amino-(2,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile?
The InChIKey is VMGZIGZACIGJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2/c12-7-1-2-9(13)8(5-7)10(15)11(6-14)3-4-11/h1-2,5,10H,3-4,15H2.
What are the key properties of 1-[amino-(2,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile?
1-[amino-(2,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile has a molecular weight of 208.21 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(2,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116942939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).