2-[1-[methyl(3,3,3-trifluoropropyl)amino]cyclohexyl]acetic acid

C12H20F3NO2 — CID 65243389

IUPAC2-[1-[methyl(3,3,3-trifluoropropyl)amino]cyclohexyl]acetic acid
SMILESCN(CCC(F)(F)F)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C12H20F3NO2/c1-16(8-7-12(13,14)15)11(9-10(17)18)5-3-2-4-6-11/h2-9H2,1H3,(H,17,18)
InChIKeyWGHSMJCFQOVLEQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.05
Rot. Bonds5

About 2-[1-[methyl(3,3,3-trifluoropropyl)amino]cyclohexyl]acetic acid

2-[1-[methyl(3,3,3-trifluoropropyl)amino]cyclohexyl]acetic acid (PubChem CID 65243389) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[1-[methyl(3,3,3-trifluoropropyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(3,3,3-trifluoropropyl)amino]cyclohexyl]acetic acid
PubChem CID65243389
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name2-[1-[methyl(3,3,3-trifluoropropyl)amino]cyclohexyl]acetic acid
SMILESCN(CCC(F)(F)F)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C12H20F3NO2/c1-16(8-7-12(13,14)15)11(9-10(17)18)5-3-2-4-6-11/h2-9H2,1H3,(H,17,18)
InChIKeyWGHSMJCFQOVLEQ-UHFFFAOYSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(Dimethylamino)-9,9,9-trifluoro-8-(trifluoromethyl)nonanoic acid
CID 59927994
6-Cyclohexyl-6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoic acid
CID 59927995
6-[Bis(trifluoromethyl)amino]-6-cyclohexylhexanoic acid
CID 59927998
2-[4-[Acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid
CID 121438663
2-(4,4-Difluoroazepan-1-yl)-5,5-difluorocyclohexane-1-carboxylic acid
CID 178021098
2-[1-[(3-Methoxy-3-methylbutyl)-methylamino]cyclohexyl]acetic acid
CID 103034714
2-[(Dibutylamino)methyl]-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoic acid
CID 20831794
2-[Methyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid
CID 55145942
4-Methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 55146720
4-Ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 55146895
2-[Propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 55146901
1-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62271025

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(3,3,3-trifluoropropyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl(3,3,3-trifluoropropyl)amino]cyclohexyl]acetic acid (CID 65243389) is 2-[1-[methyl(3,3,3-trifluoropropyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(3,3,3-trifluoropropyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl(3,3,3-trifluoropropyl)amino]cyclohexyl]acetic acid is CN(CCC(F)(F)F)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl(3,3,3-trifluoropropyl)amino]cyclohexyl]acetic acid?
The InChIKey is WGHSMJCFQOVLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-16(8-7-12(13,14)15)11(9-10(17)18)5-3-2-4-6-11/h2-9H2,1H3,(H,17,18).
What are the key properties of 2-[1-[methyl(3,3,3-trifluoropropyl)amino]cyclohexyl]acetic acid?
2-[1-[methyl(3,3,3-trifluoropropyl)amino]cyclohexyl]acetic acid has a molecular weight of 267.29 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(3,3,3-trifluoropropyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65243389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).