[1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol

C9H16F3NO — CID 61044738

IUPAC[1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
SMILESOCC1(NCC(F)(F)F)CCCCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)6-13-8(7-14)4-2-1-3-5-8/h13-14H,1-7H2
InChIKeyMQZDEUINUAPDNK-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.83
Rot. Bonds3

About [1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol

[1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol (PubChem CID 61044738) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
PubChem CID61044738
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name[1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
SMILESOCC1(NCC(F)(F)F)CCCCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)6-13-8(7-14)4-2-1-3-5-8/h13-14H,1-7H2
InChIKeyMQZDEUINUAPDNK-UHFFFAOYSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.83
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)cyclohexyl]methanol?
The IUPAC name of [1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol (CID 61044738) is [1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol.
What is the SMILES notation for [1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The canonical SMILES for [1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol is OCC1(NCC(F)(F)F)CCCCC1.
What is the InChIKey of [1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The InChIKey is MQZDEUINUAPDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)6-13-8(7-14)4-2-1-3-5-8/h13-14H,1-7H2.
What are the key properties of [1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
[1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol has a molecular weight of 211.23 g/mol, XLogP of 1.83, 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)cyclohexyl]methanol is sourced from PubChem (CID 61044738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).