1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine

C9H17F3N2 — CID 61150768

IUPAC1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine
SMILESNC1(CNCC(F)(F)F)CCCCC1
InChIInChI=1S/C9H17F3N2/c10-9(11,12)7-14-6-8(13)4-2-1-3-5-8/h14H,1-7,13H2
InChIKeyYLJMLNGHPPWGIZ-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.80
Rot. Bonds3

About 1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine

1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine (PubChem CID 61150768) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine
PubChem CID61150768
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine
SMILESNC1(CNCC(F)(F)F)CCCCC1
InChIInChI=1S/C9H17F3N2/c10-9(11,12)7-14-6-8(13)4-2-1-3-5-8/h14H,1-7,13H2
InChIKeyYLJMLNGHPPWGIZ-UHFFFAOYSA-N
XLogP1.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine (CID 61150768) is 1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine is NC1(CNCC(F)(F)F)CCCCC1.
What is the InChIKey of 1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine?
The InChIKey is YLJMLNGHPPWGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c10-9(11,12)7-14-6-8(13)4-2-1-3-5-8/h14H,1-7,13H2.
What are the key properties of 1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine?
1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine has a molecular weight of 210.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 61150768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).