4-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol

C11H20F3NO — CID 65121189

IUPAC4-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNCCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-9-2-4-10(16,5-3-9)8-15-7-6-11(12,13)14/h9,15-16H,2-8H2,1H3
InChIKeyIOPJKSQMRYJFLQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds4

About 4-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol

4-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol (PubChem CID 65121189) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
PubChem CID65121189
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNCCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-9-2-4-10(16,5-3-9)8-15-7-6-11(12,13)14/h9,15-16H,2-8H2,1H3
InChIKeyIOPJKSQMRYJFLQ-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(Ethylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64758873
1-[(Propan-2-ylamino)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 64758875
4-(Methylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol
CID 83916810
Difluoro-[4-[(2-methylheptylamino)methyl]cyclohexyl]methanol
CID 124095015
4,4-Difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol
CID 134570750
4-[(Tert-butylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol
CID 158091513
Ethane;4-(ethylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol
CID 166157677
4-[(Propan-2-ylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol
CID 166157735
4-[(Tert-butylamino)methyl]-4-fluoro-1-methylcyclohexan-1-ol
CID 166567760
4-(Propylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol
CID 167249349
4,4-Difluoro-1-[(propan-2-ylamino)methyl]cyclohexan-1-ol
CID 177955087
4,4-Difluoro-1-(methylaminomethyl)cyclohexan-1-ol;ethane
CID 177955466

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol (CID 65121189) is 4-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol is CC1CCC(O)(CNCCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol?
The InChIKey is IOPJKSQMRYJFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9-2-4-10(16,5-3-9)8-15-7-6-11(12,13)14/h9,15-16H,2-8H2,1H3.
What are the key properties of 4-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol?
4-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65121189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).