2-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol

C9H16F3NO — CID 54449113

IUPAC2-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(C1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-8(14,9(10,11)12)6-2-4-7(13)5-3-6/h6-7,14H,2-5,13H2,1H3
InChIKeyWTRGFQLEOUCWSE-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.82
Rot. Bonds1

About 2-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol

2-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 54449113) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol
PubChem CID54449113
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(C1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-8(14,9(10,11)12)6-2-4-7(13)5-3-6/h6-7,14H,2-5,13H2,1H3
InChIKeyWTRGFQLEOUCWSE-UHFFFAOYSA-N
XLogP1.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol (CID 54449113) is 2-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol is CC(O)(C1CCC(N)CC1)C(F)(F)F.
What is the InChIKey of 2-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is WTRGFQLEOUCWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-8(14,9(10,11)12)6-2-4-7(13)5-3-6/h6-7,14H,2-5,13H2,1H3.
What are the key properties of 2-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol?
2-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 211.23 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 54449113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).