1-(cyclopropylamino)-3-(2,5-difluorophenoxy)cyclopentane-1-carbonitrile

C15H16F2N2O — CID 79649659

IUPAC1-(cyclopropylamino)-3-(2,5-difluorophenoxy)cyclopentane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCC(Oc2cc(F)ccc2F)C1
InChIInChI=1S/C15H16F2N2O/c16-10-1-4-13(17)14(7-10)20-12-5-6-15(8-12,9-18)19-11-2-3-11/h1,4,7,11-12,19H,2-3,5-6,8H2
InChIKeyLAAXOUIFMLUBHD-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.91
Rot. Bonds4

About 1-(cyclopropylamino)-3-(2,5-difluorophenoxy)cyclopentane-1-carbonitrile

1-(cyclopropylamino)-3-(2,5-difluorophenoxy)cyclopentane-1-carbonitrile (PubChem CID 79649659) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(2,5-difluorophenoxy)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(2,5-difluorophenoxy)cyclopentane-1-carbonitrile
PubChem CID79649659
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name1-(cyclopropylamino)-3-(2,5-difluorophenoxy)cyclopentane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCC(Oc2cc(F)ccc2F)C1
InChIInChI=1S/C15H16F2N2O/c16-10-1-4-13(17)14(7-10)20-12-5-6-15(8-12,9-18)19-11-2-3-11/h1,4,7,11-12,19H,2-3,5-6,8H2
InChIKeyLAAXOUIFMLUBHD-UHFFFAOYSA-N
XLogP2.91
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)cyclopentane-1-carbonitrile
CID 107660360
3-(2-fluoro-5-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79650689
1-(cyclopropylamino)-3-(2,3-dimethylphenoxy)cyclohexane-1-carbonitrile
CID 79626720
3-(1,3-benzodioxol-5-yloxy)-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 79639746
2-cyclobutyloxy-1,4-difluorobenzene
CID 130038404
3-(3,4-difluorophenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79650522
3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine
CID 66351796
3-(2,5-difluorophenoxy)cyclobutan-1-ol
CID 66346063
1-(cyclopropylamino)-3-[4-(hydroxymethyl)phenoxy]cyclohexane-1-carbonitrile
CID 79626729
1-(cyclopropylamino)-3-(2,4-difluorophenoxy)cyclopentane-1-carboxamide
CID 79647458
1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile
CID 79638685
1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile
CID 79649738

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(2,5-difluorophenoxy)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-(2,5-difluorophenoxy)cyclopentane-1-carbonitrile (CID 79649659) is 1-(cyclopropylamino)-3-(2,5-difluorophenoxy)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-(2,5-difluorophenoxy)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-(2,5-difluorophenoxy)cyclopentane-1-carbonitrile is N#CC1(NC2CC2)CCC(Oc2cc(F)ccc2F)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(2,5-difluorophenoxy)cyclopentane-1-carbonitrile?
The InChIKey is LAAXOUIFMLUBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c16-10-1-4-13(17)14(7-10)20-12-5-6-15(8-12,9-18)19-11-2-3-11/h1,4,7,11-12,19H,2-3,5-6,8H2.
What are the key properties of 1-(cyclopropylamino)-3-(2,5-difluorophenoxy)cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-3-(2,5-difluorophenoxy)cyclopentane-1-carbonitrile has a molecular weight of 278.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(2,5-difluorophenoxy)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79649659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).