2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane

C10H18F3NO2 — CID 164530893

IUPAC2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane
SMILESCC1CCC(C(F)(F)F)CC1.NCC(=O)O
InChIInChI=1S/C8H13F3.C2H5NO2/c1-6-2-4-7(5-3-6)8(9,10)11;3-1-2(4)5/h6-7H,2-5H2,1H3;1,3H2,(H,4,5)
InChIKeyOYBUDMVLQZJJLB-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.40
Rot. Bonds1

About 2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane

2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane (PubChem CID 164530893) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane
PubChem CID164530893
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane
SMILESCC1CCC(C(F)(F)F)CC1.NCC(=O)O
InChIInChI=1S/C8H13F3.C2H5NO2/c1-6-2-4-7(5-3-6)8(9,10)11;3-1-2(4)5/h6-7H,2-5H2,1H3;1,3H2,(H,4,5)
InChIKeyOYBUDMVLQZJJLB-UHFFFAOYSA-N
XLogP2.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane
CID 164530936
2-aminoacetic acid;methylcyclopropane
CID 153395802
1,4-dimethylcyclohexane;1-methyl-4-(trifluoromethyl)cyclohexane
CID 90867997
1-methyl-4-(trifluoromethyl)cyclohexane;propane
CID 162029179
1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane
CID 59015376
2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)propanoic acid
CID 64774277
2-aminoacetic acid;1-methoxy-4-methylcyclohexane
CID 170636646
2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 65065934
(4-methylcyclohexyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105153876
2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid
CID 84736757
2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119280540
2-[1-amino-4-(trifluoromethyl)cyclohexyl]acetic acid
CID 64758784

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane?
The IUPAC name of 2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane (CID 164530893) is 2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane?
The canonical SMILES for 2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane is CC1CCC(C(F)(F)F)CC1.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane?
The InChIKey is OYBUDMVLQZJJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3.C2H5NO2/c1-6-2-4-7(5-3-6)8(9,10)11;3-1-2(4)5/h6-7H,2-5H2,1H3;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane?
2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane has a molecular weight of 241.25 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 164530893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).