1-[(cyclopropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol

C11H18F3NO — CID 64757553

IUPAC1-[(cyclopropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(CNC2CC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)8-3-5-10(16,6-4-8)7-15-9-1-2-9/h8-9,15-16H,1-7H2
InChIKeyBUBBABLNOOZKBL-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.22
Rot. Bonds3

About 1-[(cyclopropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol

1-[(cyclopropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64757553) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[(cyclopropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(cyclopropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64757553
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name1-[(cyclopropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(CNC2CC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)8-3-5-10(16,6-4-8)7-15-9-1-2-9/h8-9,15-16H,1-7H2
InChIKeyBUBBABLNOOZKBL-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Propan-2-ylamino)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 64758875
4-(Cyclopropylamino)-1-(trifluoromethyl)cyclohexanol
CID 67466570
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-(Propylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol
CID 167249349
4,4-Difluoro-1-[(propan-2-ylamino)methyl]cyclohexan-1-ol
CID 177955087
1-{[(2,2,2-Trifluoroethyl)amino]methyl}cyclohexan-1-ol
CID 60899407
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62110753
1-[(3,3,3-Trifluoropropylamino)methyl]cyclohexan-1-ol
CID 63227075
1-Pyrrolidin-2-yl-4-(trifluoromethyl)cyclohexan-1-ol
CID 64754302

Frequently Asked Questions

What is the IUPAC name of 1-[(cyclopropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[(cyclopropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol (CID 64757553) is 1-[(cyclopropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(cyclopropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[(cyclopropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol is OC1(CNC2CC2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[(cyclopropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is BUBBABLNOOZKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)8-3-5-10(16,6-4-8)7-15-9-1-2-9/h8-9,15-16H,1-7H2.
What are the key properties of 1-[(cyclopropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
1-[(cyclopropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 237.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclopropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64757553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).