4-(3,3,3-trifluoropropylamino)cyclohexane-1-carboxylic acid

C10H16F3NO2 — CID 64566527

IUPAC4-(3,3,3-trifluoropropylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)5-6-14-8-3-1-7(2-4-8)9(15)16/h7-8,14H,1-6H2,(H,15,16)
InChIKeyQEKFCTISBUMGCN-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.17
Rot. Bonds4

About 4-(3,3,3-trifluoropropylamino)cyclohexane-1-carboxylic acid

4-(3,3,3-trifluoropropylamino)cyclohexane-1-carboxylic acid (PubChem CID 64566527) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropylamino)cyclohexane-1-carboxylic acid
PubChem CID64566527
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name4-(3,3,3-trifluoropropylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)5-6-14-8-3-1-7(2-4-8)9(15)16/h7-8,14H,1-6H2,(H,15,16)
InChIKeyQEKFCTISBUMGCN-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(3,3,3-trifluoropropylamino)cyclohexane-1-carboxylic acid (CID 64566527) is 4-(3,3,3-trifluoropropylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(3,3,3-trifluoropropylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(3,3,3-trifluoropropylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCCC(F)(F)F)CC1.
What is the InChIKey of 4-(3,3,3-trifluoropropylamino)cyclohexane-1-carboxylic acid?
The InChIKey is QEKFCTISBUMGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)5-6-14-8-3-1-7(2-4-8)9(15)16/h7-8,14H,1-6H2,(H,15,16).
What are the key properties of 4-(3,3,3-trifluoropropylamino)cyclohexane-1-carboxylic acid?
4-(3,3,3-trifluoropropylamino)cyclohexane-1-carboxylic acid has a molecular weight of 239.24 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64566527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).