2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]aniline

C12H14F4N2 — CID 146019174

IUPAC2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
SMILESNc1ccc(N2CCC(C(F)(F)F)CC2)cc1F
InChIInChI=1S/C12H14F4N2/c13-10-7-9(1-2-11(10)17)18-5-3-8(4-6-18)12(14,15)16/h1-2,7-8H,3-6,17H2
InChIKeyVRLVCOUZCIGNIX-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.19
Rot. Bonds1

About 2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]aniline

2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]aniline (PubChem CID 146019174) has the molecular formula C12H14F4N2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
PubChem CID146019174
Molecular FormulaC12H14F4N2
Molecular Weight262.25 g/mol
Exact Mass262.11
IUPAC Name2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
SMILESNc1ccc(N2CCC(C(F)(F)F)CC2)cc1F
InChIInChI=1S/C12H14F4N2/c13-10-7-9(1-2-11(10)17)18-5-3-8(4-6-18)12(14,15)16/h1-2,7-8H,3-6,17H2
InChIKeyVRLVCOUZCIGNIX-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]aniline?
The IUPAC name of 2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]aniline (CID 146019174) is 2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]aniline.
What is the SMILES notation for 2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]aniline?
The canonical SMILES for 2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]aniline is Nc1ccc(N2CCC(C(F)(F)F)CC2)cc1F.
What is the InChIKey of 2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]aniline?
The InChIKey is VRLVCOUZCIGNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2/c13-10-7-9(1-2-11(10)17)18-5-3-8(4-6-18)12(14,15)16/h1-2,7-8H,3-6,17H2.
What are the key properties of 2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]aniline?
2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]aniline has a molecular weight of 262.25 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]aniline is sourced from PubChem (CID 146019174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).