1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile

C9H13F3N2 — CID 60997807

IUPAC1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile
SMILESN#CC1(NCC(F)(F)F)CCCCC1
InChIInChI=1S/C9H13F3N2/c10-9(11,12)7-14-8(6-13)4-2-1-3-5-8/h14H,1-5,7H2
InChIKeyHXPAUAHNCLXUNI-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.36
Rot. Bonds2

About 1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile

1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile (PubChem CID 60997807) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile
PubChem CID60997807
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile
SMILESN#CC1(NCC(F)(F)F)CCCCC1
InChIInChI=1S/C9H13F3N2/c10-9(11,12)7-14-8(6-13)4-2-1-3-5-8/h14H,1-5,7H2
InChIKeyHXPAUAHNCLXUNI-UHFFFAOYSA-N
XLogP2.36
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65377388
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CID 89782516
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CID 89782688
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CID 132101531
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CID 137536294
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CID 145395024
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CID 145395221
CID 145395221

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile (CID 60997807) is 1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile is N#CC1(NCC(F)(F)F)CCCCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile?
The InChIKey is HXPAUAHNCLXUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c10-9(11,12)7-14-8(6-13)4-2-1-3-5-8/h14H,1-5,7H2.
What are the key properties of 1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile?
1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile has a molecular weight of 206.21 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 60997807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).