5-[(3,3-difluoro-2-hydroxypropyl)amino]-4,4-dimethylpentanenitrile

C10H18F2N2O — CID 103731617

IUPAC5-[(3,3-difluoro-2-hydroxypropyl)amino]-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNCC(O)C(F)F
InChIInChI=1S/C10H18F2N2O/c1-10(2,4-3-5-13)7-14-6-8(15)9(11)12/h8-9,14-15H,3-4,6-7H2,1-2H3
InChIKeyCEBFGVSHQFFEKV-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.53
Rot. Bonds7

About 5-[(3,3-difluoro-2-hydroxypropyl)amino]-4,4-dimethylpentanenitrile

5-[(3,3-difluoro-2-hydroxypropyl)amino]-4,4-dimethylpentanenitrile (PubChem CID 103731617) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 5-[(3,3-difluoro-2-hydroxypropyl)amino]-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[(3,3-difluoro-2-hydroxypropyl)amino]-4,4-dimethylpentanenitrile
PubChem CID103731617
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name5-[(3,3-difluoro-2-hydroxypropyl)amino]-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNCC(O)C(F)F
InChIInChI=1S/C10H18F2N2O/c1-10(2,4-3-5-13)7-14-6-8(15)9(11)12/h8-9,14-15H,3-4,6-7H2,1-2H3
InChIKeyCEBFGVSHQFFEKV-UHFFFAOYSA-N
XLogP1.53
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluoro-2-hydroxypropyl)amino]-4,4-dimethylpentanenitrile?
The IUPAC name of 5-[(3,3-difluoro-2-hydroxypropyl)amino]-4,4-dimethylpentanenitrile (CID 103731617) is 5-[(3,3-difluoro-2-hydroxypropyl)amino]-4,4-dimethylpentanenitrile.
What is the SMILES notation for 5-[(3,3-difluoro-2-hydroxypropyl)amino]-4,4-dimethylpentanenitrile?
The canonical SMILES for 5-[(3,3-difluoro-2-hydroxypropyl)amino]-4,4-dimethylpentanenitrile is CC(C)(CCC#N)CNCC(O)C(F)F.
What is the InChIKey of 5-[(3,3-difluoro-2-hydroxypropyl)amino]-4,4-dimethylpentanenitrile?
The InChIKey is CEBFGVSHQFFEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-10(2,4-3-5-13)7-14-6-8(15)9(11)12/h8-9,14-15H,3-4,6-7H2,1-2H3.
What are the key properties of 5-[(3,3-difluoro-2-hydroxypropyl)amino]-4,4-dimethylpentanenitrile?
5-[(3,3-difluoro-2-hydroxypropyl)amino]-4,4-dimethylpentanenitrile has a molecular weight of 220.26 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluoro-2-hydroxypropyl)amino]-4,4-dimethylpentanenitrile is sourced from PubChem (CID 103731617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).