6-(1,2,2-trifluoroethenoxy)hexanenitrile

C8H10F3NO — CID 87328164

IUPAC6-(1,2,2-trifluoroethenoxy)hexanenitrile
SMILESN#CCCCCCOC(F)=C(F)F
InChIInChI=1S/C8H10F3NO/c9-7(10)8(11)13-6-4-2-1-3-5-12/h1-4,6H2
InChIKeyVVUCQPBESUZIAP-UHFFFAOYSA-N
MW193.17 g/mol
LogP3.12
Rot. Bonds6

About 6-(1,2,2-trifluoroethenoxy)hexanenitrile

6-(1,2,2-trifluoroethenoxy)hexanenitrile (PubChem CID 87328164) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 6-(1,2,2-trifluoroethenoxy)hexanenitrile.

Molecular Properties

Compound Name6-(1,2,2-trifluoroethenoxy)hexanenitrile
PubChem CID87328164
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name6-(1,2,2-trifluoroethenoxy)hexanenitrile
SMILESN#CCCCCCOC(F)=C(F)F
InChIInChI=1S/C8H10F3NO/c9-7(10)8(11)13-6-4-2-1-3-5-12/h1-4,6H2
InChIKeyVVUCQPBESUZIAP-UHFFFAOYSA-N
XLogP3.12
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-cyanobutyl 5-cyanopentanoate
CID 88549953
henicosanedinitrile
CID 87345062
6-(2-cyanoethoxy)hexanenitrile
CID 142730413
10-cyanodecanamide
CID 87916786
3-cyanopropyl nonyl carbonate
CID 155213062
4-(1,2,2-trifluoroethenoxy)butane-1-sulfonic acid
CID 175028087
(Z)-7-fluoro-9-hydroxynon-7-enenitrile
CID 138375678
5-cyanopentyl benzoate
CID 118627179
propyl 12-cyanododecanoate
CID 19904856
propyl 11-cyanoundecanoate
CID 19904855
12-silyldodecanenitrile
CID 150980762
7-[4-[10-[4-(6-cyanohexoxy)phenoxy]decoxy]phenoxy]heptanenitrile
CID 102361526

Frequently Asked Questions

What is the IUPAC name of 6-(1,2,2-trifluoroethenoxy)hexanenitrile?
The IUPAC name of 6-(1,2,2-trifluoroethenoxy)hexanenitrile (CID 87328164) is 6-(1,2,2-trifluoroethenoxy)hexanenitrile.
What is the SMILES notation for 6-(1,2,2-trifluoroethenoxy)hexanenitrile?
The canonical SMILES for 6-(1,2,2-trifluoroethenoxy)hexanenitrile is N#CCCCCCOC(F)=C(F)F.
What is the InChIKey of 6-(1,2,2-trifluoroethenoxy)hexanenitrile?
The InChIKey is VVUCQPBESUZIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c9-7(10)8(11)13-6-4-2-1-3-5-12/h1-4,6H2.
What are the key properties of 6-(1,2,2-trifluoroethenoxy)hexanenitrile?
6-(1,2,2-trifluoroethenoxy)hexanenitrile has a molecular weight of 193.17 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,2-trifluoroethenoxy)hexanenitrile is sourced from PubChem (CID 87328164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).