1-[[(2S)-2-amino-4,4-difluoropentyl]amino]cyclopropane-1-carbonitrile

C9H15F2N3 — CID 151771891

IUPAC1-[[(2S)-2-amino-4,4-difluoropentyl]amino]cyclopropane-1-carbonitrile
SMILESCC(F)(F)C[C@H](N)CNC1(C#N)CC1
InChIInChI=1S/C9H15F2N3/c1-8(10,11)4-7(13)5-14-9(6-12)2-3-9/h7,14H,2-5,13H2,1H3/t7-/m0/s1
InChIKeyRSTDOUVMOCIQON-ZETCQYMHSA-N
MW203.24 g/mol
LogP1.00
Rot. Bonds5

About 1-[[(2S)-2-amino-4,4-difluoropentyl]amino]cyclopropane-1-carbonitrile

1-[[(2S)-2-amino-4,4-difluoropentyl]amino]cyclopropane-1-carbonitrile (PubChem CID 151771891) has the molecular formula C9H15F2N3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[[(2S)-2-amino-4,4-difluoropentyl]amino]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(2S)-2-amino-4,4-difluoropentyl]amino]cyclopropane-1-carbonitrile
PubChem CID151771891
Molecular FormulaC9H15F2N3
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name1-[[(2S)-2-amino-4,4-difluoropentyl]amino]cyclopropane-1-carbonitrile
SMILESCC(F)(F)C[C@H](N)CNC1(C#N)CC1
InChIInChI=1S/C9H15F2N3/c1-8(10,11)4-7(13)5-14-9(6-12)2-3-9/h7,14H,2-5,13H2,1H3/t7-/m0/s1
InChIKeyRSTDOUVMOCIQON-ZETCQYMHSA-N
XLogP1.00
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-amino-4,4-difluoropentyl]amino]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[(2S)-2-amino-4,4-difluoropentyl]amino]cyclopropane-1-carbonitrile (CID 151771891) is 1-[[(2S)-2-amino-4,4-difluoropentyl]amino]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[(2S)-2-amino-4,4-difluoropentyl]amino]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[(2S)-2-amino-4,4-difluoropentyl]amino]cyclopropane-1-carbonitrile is CC(F)(F)C[C@H](N)CNC1(C#N)CC1.
What is the InChIKey of 1-[[(2S)-2-amino-4,4-difluoropentyl]amino]cyclopropane-1-carbonitrile?
The InChIKey is RSTDOUVMOCIQON-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15F2N3/c1-8(10,11)4-7(13)5-14-9(6-12)2-3-9/h7,14H,2-5,13H2,1H3/t7-/m0/s1.
What are the key properties of 1-[[(2S)-2-amino-4,4-difluoropentyl]amino]cyclopropane-1-carbonitrile?
1-[[(2S)-2-amino-4,4-difluoropentyl]amino]cyclopropane-1-carbonitrile has a molecular weight of 203.24 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-amino-4,4-difluoropentyl]amino]cyclopropane-1-carbonitrile is sourced from PubChem (CID 151771891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).