4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid

C14H17F3N2O2 — CID 79526027

IUPAC4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNc2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-5-6-18-12(7-11)19-8-9-1-3-10(4-2-9)13(20)21/h5-7,9-10H,1-4,8H2,(H,18,19)(H,20,21)
InChIKeyLUDJDEILGZOSMN-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.40
Rot. Bonds4

About 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid

4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79526027) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79526027
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNc2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-5-6-18-12(7-11)19-8-9-1-3-10(4-2-9)13(20)21/h5-7,9-10H,1-4,8H2,(H,18,19)(H,20,21)
InChIKeyLUDJDEILGZOSMN-UHFFFAOYSA-N
XLogP3.40
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 79526027) is 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CNc2cc(C(F)(F)F)ccn2)CC1.
What is the InChIKey of 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is LUDJDEILGZOSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)11-5-6-18-12(7-11)19-8-9-1-3-10(4-2-9)13(20)21/h5-7,9-10H,1-4,8H2,(H,18,19)(H,20,21).
What are the key properties of 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid?
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 302.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79526027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).