3-(methylamino)-1-(trifluoromethyl)cyclohexan-1-ol

C8H14F3NO — CID 83915838

IUPAC3-(methylamino)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCNC1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-12-6-3-2-4-7(13,5-6)8(9,10)11/h6,12-13H,2-5H2,1H3
InChIKeySDJNXJYHPZZXNK-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.44
Rot. Bonds1

About 3-(methylamino)-1-(trifluoromethyl)cyclohexan-1-ol

3-(methylamino)-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 83915838) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-(methylamino)-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID83915838
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3-(methylamino)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCNC1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-12-6-3-2-4-7(13,5-6)8(9,10)11/h6,12-13H,2-5H2,1H3
InChIKeySDJNXJYHPZZXNK-UHFFFAOYSA-N
XLogP1.44
TPSA32.26 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 ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-(methylamino)-1-(trifluoromethyl)cyclohexan-1-ol (CID 83915838) is 3-(methylamino)-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(methylamino)-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(methylamino)-1-(trifluoromethyl)cyclohexan-1-ol is CNC1CCCC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-(methylamino)-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is SDJNXJYHPZZXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-12-6-3-2-4-7(13,5-6)8(9,10)11/h6,12-13H,2-5H2,1H3.
What are the key properties of 3-(methylamino)-1-(trifluoromethyl)cyclohexan-1-ol?
3-(methylamino)-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 197.20 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 83915838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).