2-[1-amino-4-(trifluoromethyl)cyclohexyl]acetic acid

C9H14F3NO2 — CID 64758784

IUPAC2-[1-amino-4-(trifluoromethyl)cyclohexyl]acetic acid
SMILESNC1(CC(=O)O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)6-1-3-8(13,4-2-6)5-7(14)15/h6H,1-5,13H2,(H,14,15)
InChIKeyIZVHMNOUIOPBMN-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.91
Rot. Bonds2

About 2-[1-amino-4-(trifluoromethyl)cyclohexyl]acetic acid

2-[1-amino-4-(trifluoromethyl)cyclohexyl]acetic acid (PubChem CID 64758784) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-[1-amino-4-(trifluoromethyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-amino-4-(trifluoromethyl)cyclohexyl]acetic acid
PubChem CID64758784
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2-[1-amino-4-(trifluoromethyl)cyclohexyl]acetic acid
SMILESNC1(CC(=O)O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)6-1-3-8(13,4-2-6)5-7(14)15/h6H,1-5,13H2,(H,14,15)
InChIKeyIZVHMNOUIOPBMN-UHFFFAOYSA-N
XLogP1.91
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-4-(trifluoromethyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-amino-4-(trifluoromethyl)cyclohexyl]acetic acid (CID 64758784) is 2-[1-amino-4-(trifluoromethyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-amino-4-(trifluoromethyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-amino-4-(trifluoromethyl)cyclohexyl]acetic acid is NC1(CC(=O)O)CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[1-amino-4-(trifluoromethyl)cyclohexyl]acetic acid?
The InChIKey is IZVHMNOUIOPBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)6-1-3-8(13,4-2-6)5-7(14)15/h6H,1-5,13H2,(H,14,15).
What are the key properties of 2-[1-amino-4-(trifluoromethyl)cyclohexyl]acetic acid?
2-[1-amino-4-(trifluoromethyl)cyclohexyl]acetic acid has a molecular weight of 225.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-4-(trifluoromethyl)cyclohexyl]acetic acid is sourced from PubChem (CID 64758784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).