1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid

C11H18F3NO2 — CID 64755724

IUPAC1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-2-7-15-10(9(16)17)5-3-8(4-6-10)11(12,13)14/h8,15H,2-7H2,1H3,(H,16,17)
InChIKeyLDKUCPNEBGLTSG-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.56
Rot. Bonds4

About 1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid

1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid (PubChem CID 64755724) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
PubChem CID64755724
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-2-7-15-10(9(16)17)5-3-8(4-6-10)11(12,13)14/h8,15H,2-7H2,1H3,(H,16,17)
InChIKeyLDKUCPNEBGLTSG-UHFFFAOYSA-N
XLogP2.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid (CID 64755724) is 1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid is CCCNC1(C(=O)O)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The InChIKey is LDKUCPNEBGLTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-2-7-15-10(9(16)17)5-3-8(4-6-10)11(12,13)14/h8,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64755724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).