7,7,7-trifluoro-3-hydroxy-2,2,3-trimethylheptanenitrile

C10H16F3NO — CID 116536353

IUPAC7,7,7-trifluoro-3-hydroxy-2,2,3-trimethylheptanenitrile
SMILESCC(C)(C#N)C(C)(O)CCCC(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-8(2,7-14)9(3,15)5-4-6-10(11,12)13/h15H,4-6H2,1-3H3
InChIKeyUHSDJRSBGXSCNZ-UHFFFAOYSA-N
MW223.24 g/mol
LogP3.02
Rot. Bonds4

About 7,7,7-trifluoro-3-hydroxy-2,2,3-trimethylheptanenitrile

7,7,7-trifluoro-3-hydroxy-2,2,3-trimethylheptanenitrile (PubChem CID 116536353) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 7,7,7-trifluoro-3-hydroxy-2,2,3-trimethylheptanenitrile.

Molecular Properties

Compound Name7,7,7-trifluoro-3-hydroxy-2,2,3-trimethylheptanenitrile
PubChem CID116536353
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name7,7,7-trifluoro-3-hydroxy-2,2,3-trimethylheptanenitrile
SMILESCC(C)(C#N)C(C)(O)CCCC(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-8(2,7-14)9(3,15)5-4-6-10(11,12)13/h15H,4-6H2,1-3H3
InChIKeyUHSDJRSBGXSCNZ-UHFFFAOYSA-N
XLogP3.02
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-7,7,7-trifluoro-3-hydroxy-2,3-dimethylheptanenitrile
CID 116536357
3-hydroxy-2,2,3-trimethyloctanenitrile
CID 80560062
1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol
CID 116535920
2-chloro-6,6,6-trifluoro-2-methylhexanenitrile
CID 116536084
2-bromo-6,6,6-trifluoro-2-methylhexanenitrile
CID 116536085
2,2,7,7,7-pentafluoro-3-hydroxy-3-methylheptanoic acid
CID 116536109
2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile
CID 116535435
6,6,6-trifluoro-2-(3-hydroxypropoxy)-2-methylhexanenitrile
CID 103376454
1,1,6,6,6-pentafluorohexan-1-ol
CID 143019426
6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 116535437
6,6,6-trifluoro-2-methyl-2-(prop-2-ynylamino)hexanenitrile
CID 116535500
2-(6,6,6-trifluoro-2-hydroxyhexan-2-yl)-1,3-dihydroindene-2-carbonitrile
CID 116536365

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-3-hydroxy-2,2,3-trimethylheptanenitrile?
The IUPAC name of 7,7,7-trifluoro-3-hydroxy-2,2,3-trimethylheptanenitrile (CID 116536353) is 7,7,7-trifluoro-3-hydroxy-2,2,3-trimethylheptanenitrile.
What is the SMILES notation for 7,7,7-trifluoro-3-hydroxy-2,2,3-trimethylheptanenitrile?
The canonical SMILES for 7,7,7-trifluoro-3-hydroxy-2,2,3-trimethylheptanenitrile is CC(C)(C#N)C(C)(O)CCCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-3-hydroxy-2,2,3-trimethylheptanenitrile?
The InChIKey is UHSDJRSBGXSCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-8(2,7-14)9(3,15)5-4-6-10(11,12)13/h15H,4-6H2,1-3H3.
What are the key properties of 7,7,7-trifluoro-3-hydroxy-2,2,3-trimethylheptanenitrile?
7,7,7-trifluoro-3-hydroxy-2,2,3-trimethylheptanenitrile has a molecular weight of 223.24 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-3-hydroxy-2,2,3-trimethylheptanenitrile is sourced from PubChem (CID 116536353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).