1-(1-aminocyclohexyl)-2,2,2-trifluoroethanol

C8H14F3NO — CID 82399081

IUPAC1-(1-aminocyclohexyl)-2,2,2-trifluoroethanol
SMILESNC1(C(O)C(F)(F)F)CCCCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6(13)7(12)4-2-1-3-5-7/h6,13H,1-5,12H2
InChIKeySWCBVYMWLWXACB-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.57
Rot. Bonds1

About 1-(1-aminocyclohexyl)-2,2,2-trifluoroethanol

1-(1-aminocyclohexyl)-2,2,2-trifluoroethanol (PubChem CID 82399081) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-2,2,2-trifluoroethanol
PubChem CID82399081
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-(1-aminocyclohexyl)-2,2,2-trifluoroethanol
SMILESNC1(C(O)C(F)(F)F)CCCCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6(13)7(12)4-2-1-3-5-7/h6,13H,1-5,12H2
InChIKeySWCBVYMWLWXACB-UHFFFAOYSA-N
XLogP1.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(1-aminocyclohexyl)-2,2,2-trifluoroethanol (CID 82399081) is 1-(1-aminocyclohexyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(1-aminocyclohexyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(1-aminocyclohexyl)-2,2,2-trifluoroethanol is NC1(C(O)C(F)(F)F)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-2,2,2-trifluoroethanol?
The InChIKey is SWCBVYMWLWXACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)6(13)7(12)4-2-1-3-5-7/h6,13H,1-5,12H2.
What are the key properties of 1-(1-aminocyclohexyl)-2,2,2-trifluoroethanol?
1-(1-aminocyclohexyl)-2,2,2-trifluoroethanol has a molecular weight of 197.20 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 82399081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).