4-amino-5,5-difluoro-4-methylpentanenitrile

C6H10F2N2 — CID 20725275

IUPAC4-amino-5,5-difluoro-4-methylpentanenitrile
SMILESCC(N)(CCC#N)C(F)F
InChIInChI=1S/C6H10F2N2/c1-6(10,5(7)8)3-2-4-9/h5H,2-3,10H2,1H3
InChIKeyRUJMAERHUAKMHB-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.27
Rot. Bonds3

About 4-amino-5,5-difluoro-4-methylpentanenitrile

4-amino-5,5-difluoro-4-methylpentanenitrile (PubChem CID 20725275) has the molecular formula C6H10F2N2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 4-amino-5,5-difluoro-4-methylpentanenitrile.

Molecular Properties

Compound Name4-amino-5,5-difluoro-4-methylpentanenitrile
PubChem CID20725275
Molecular FormulaC6H10F2N2
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name4-amino-5,5-difluoro-4-methylpentanenitrile
SMILESCC(N)(CCC#N)C(F)F
InChIInChI=1S/C6H10F2N2/c1-6(10,5(7)8)3-2-4-9/h5H,2-3,10H2,1H3
InChIKeyRUJMAERHUAKMHB-UHFFFAOYSA-N
XLogP1.27
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-difluoro-2-methylhexan-2-amine
CID 131163407
4,4-dimethylpentanenitrile
CID 12656145
4,4-dimethylpentanenitrile;2,2-dimethylpropane
CID 165090579
2,2-dimethylpentanedinitrile
CID 19809777
4-methoxy-4-methylpentanenitrile
CID 89129728
5-hydroxy-5-methylhexanenitrile
CID 19885706
2-hydroxy-2-methylpentanedinitrile
CID 23346026
4-hydroxy-4,6-dimethylheptanenitrile
CID 14900500
4,4,6-trimethylhept-6-enenitrile
CID 163774167
4,4-difluoroheptanenitrile
CID 116840828
4-(methoxymethyl)-4-methylheptanedinitrile
CID 123915841
9-hydroxy-4,4,7,7-tetramethylnonanenitrile
CID 166904994

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,5-difluoro-4-methylpentanenitrile?
The IUPAC name of 4-amino-5,5-difluoro-4-methylpentanenitrile (CID 20725275) is 4-amino-5,5-difluoro-4-methylpentanenitrile.
What is the SMILES notation for 4-amino-5,5-difluoro-4-methylpentanenitrile?
The canonical SMILES for 4-amino-5,5-difluoro-4-methylpentanenitrile is CC(N)(CCC#N)C(F)F.
What is the InChIKey of 4-amino-5,5-difluoro-4-methylpentanenitrile?
The InChIKey is RUJMAERHUAKMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2/c1-6(10,5(7)8)3-2-4-9/h5H,2-3,10H2,1H3.
What are the key properties of 4-amino-5,5-difluoro-4-methylpentanenitrile?
4-amino-5,5-difluoro-4-methylpentanenitrile has a molecular weight of 148.16 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,5-difluoro-4-methylpentanenitrile is sourced from PubChem (CID 20725275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).