2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile

C9H15F3N2 — CID 116535435

IUPAC2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile
SMILESCCNC(C)(C#N)CCCC(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-3-14-8(2,7-13)5-4-6-9(10,11)12/h14H,3-6H2,1-2H3
InChIKeyKCBXBTXFSAAWIT-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.61
Rot. Bonds5

About 2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile

2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile (PubChem CID 116535435) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile
PubChem CID116535435
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile
SMILESCCNC(C)(C#N)CCCC(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-3-14-8(2,7-13)5-4-6-9(10,11)12/h14H,3-6H2,1-2H3
InChIKeyKCBXBTXFSAAWIT-UHFFFAOYSA-N
XLogP2.61
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,6,6-trifluoro-2-methyl-2-(prop-2-ynylamino)hexanenitrile
CID 116535500
6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 116535437
2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile
CID 82958525
5-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentanenitrile
CID 66225414
5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile
CID 102996424
2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile
CID 104564868
6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexanenitrile
CID 116535457
2-chloro-6,6,6-trifluoro-2-methylhexanenitrile
CID 116536084
2-bromo-6,6,6-trifluoro-2-methylhexanenitrile
CID 116536085
6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile
CID 81268081
2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile
CID 104564895
5-(cyclopentylmethylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile
CID 63120126

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile?
The IUPAC name of 2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile (CID 116535435) is 2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile.
What is the SMILES notation for 2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile?
The canonical SMILES for 2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile is CCNC(C)(C#N)CCCC(F)(F)F.
What is the InChIKey of 2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile?
The InChIKey is KCBXBTXFSAAWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2/c1-3-14-8(2,7-13)5-4-6-9(10,11)12/h14H,3-6H2,1-2H3.
What are the key properties of 2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile?
2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile has a molecular weight of 208.23 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile is sourced from PubChem (CID 116535435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).