4-[(tert-butylamino)methyl]-4-fluoro-1-methylcyclohexan-1-ol

C12H24FNO — CID 166567760

IUPAC4-[(tert-butylamino)methyl]-4-fluoro-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(F)(CNC(C)(C)C)CC1
InChIInChI=1S/C12H24FNO/c1-10(2,3)14-9-12(13)7-5-11(4,15)6-8-12/h14-15H,5-9H2,1-4H3
InChIKeyUBFGJJUGSXMGEK-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.41
Rot. Bonds2

About 4-[(tert-butylamino)methyl]-4-fluoro-1-methylcyclohexan-1-ol

4-[(tert-butylamino)methyl]-4-fluoro-1-methylcyclohexan-1-ol (PubChem CID 166567760) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-4-fluoro-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-4-fluoro-1-methylcyclohexan-1-ol
PubChem CID166567760
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name4-[(tert-butylamino)methyl]-4-fluoro-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(F)(CNC(C)(C)C)CC1
InChIInChI=1S/C12H24FNO/c1-10(2,3)14-9-12(13)7-5-11(4,15)6-8-12/h14-15H,5-9H2,1-4H3
InChIKeyUBFGJJUGSXMGEK-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-4-fluoro-1-methylcyclohexan-1-ol?
The IUPAC name of 4-[(tert-butylamino)methyl]-4-fluoro-1-methylcyclohexan-1-ol (CID 166567760) is 4-[(tert-butylamino)methyl]-4-fluoro-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-4-fluoro-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-[(tert-butylamino)methyl]-4-fluoro-1-methylcyclohexan-1-ol is CC1(O)CCC(F)(CNC(C)(C)C)CC1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-4-fluoro-1-methylcyclohexan-1-ol?
The InChIKey is UBFGJJUGSXMGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-10(2,3)14-9-12(13)7-5-11(4,15)6-8-12/h14-15H,5-9H2,1-4H3.
What are the key properties of 4-[(tert-butylamino)methyl]-4-fluoro-1-methylcyclohexan-1-ol?
4-[(tert-butylamino)methyl]-4-fluoro-1-methylcyclohexan-1-ol has a molecular weight of 217.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-4-fluoro-1-methylcyclohexan-1-ol is sourced from PubChem (CID 166567760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).