4,4-difluoro-2-N-[5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine

C10H11F5N4 — CID 118308145

IUPAC4,4-difluoro-2-N-[5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine
SMILESNC1CC(F)(F)CC1Nc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C10H11F5N4/c11-9(12)1-5(16)6(2-9)19-8-4-17-7(3-18-8)10(13,14)15/h3-6H,1-2,16H2,(H,18,19)
InChIKeyQRZRNQDQYOHYHT-UHFFFAOYSA-N
MW282.22 g/mol
LogP2.03
Rot. Bonds2

About 4,4-difluoro-2-N-[5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine

4,4-difluoro-2-N-[5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine (PubChem CID 118308145) has the molecular formula C10H11F5N4 and a molecular weight of 282.22 g/mol. Its IUPAC name is 4,4-difluoro-2-N-[5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine.

Molecular Properties

Compound Name4,4-difluoro-2-N-[5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine
PubChem CID118308145
Molecular FormulaC10H11F5N4
Molecular Weight282.22 g/mol
Exact Mass282.09
IUPAC Name4,4-difluoro-2-N-[5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine
SMILESNC1CC(F)(F)CC1Nc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C10H11F5N4/c11-9(12)1-5(16)6(2-9)19-8-4-17-7(3-18-8)10(13,14)15/h3-6H,1-2,16H2,(H,18,19)
InChIKeyQRZRNQDQYOHYHT-UHFFFAOYSA-N
XLogP2.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Cyclohexylamino)pyrazine-2-carbonitrile
CID 16108898
3-(Hexylamino)pyrazine-2,5-dicarbonitrile
CID 57334415
3-(Cyclopentylamino)pyrazine-2,5-dicarbonitrile
CID 57394465
3-(Pentylamino)pyrazine-2,5-dicarbonitrile
CID 57394665
3-(Cyclohexylamino)pyrazine-2,5-dicarbonitrile
CID 57396225
3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine
CID 22248917
6-Methyl-N-(pentan-3-yl)pyrazin-2-amine
CID 45099732
6-methyl-N-propan-2-ylpyrazin-2-amine
CID 89879689
3,6-dimethyl-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrazin-2-amine
CID 164629814
3-[[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]amino]pyrazine-2-carbonitrile
CID 164640687
2-Piperazin-1-yl-6-(trifluoromethyl)pyrazine
CID 20290696
2-Piperazin-1-yl-6-(trifluoromethyl)pyrazine;hydrochloride
CID 20361695

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-N-[5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine?
The IUPAC name of 4,4-difluoro-2-N-[5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine (CID 118308145) is 4,4-difluoro-2-N-[5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine.
What is the SMILES notation for 4,4-difluoro-2-N-[5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine?
The canonical SMILES for 4,4-difluoro-2-N-[5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine is NC1CC(F)(F)CC1Nc1cnc(C(F)(F)F)cn1.
What is the InChIKey of 4,4-difluoro-2-N-[5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine?
The InChIKey is QRZRNQDQYOHYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5N4/c11-9(12)1-5(16)6(2-9)19-8-4-17-7(3-18-8)10(13,14)15/h3-6H,1-2,16H2,(H,18,19).
What are the key properties of 4,4-difluoro-2-N-[5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine?
4,4-difluoro-2-N-[5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine has a molecular weight of 282.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-N-[5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine is sourced from PubChem (CID 118308145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).