N-[2-chloro-6-(trifluoromethyl)phenyl]spiro[3.5]nonan-3-amine

C16H19ClF3N — CID 102951387

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]spiro[3.5]nonan-3-amine
SMILESFC(F)(F)c1cccc(Cl)c1NC1CCC12CCCCC2
InChIInChI=1S/C16H19ClF3N/c17-12-6-4-5-11(16(18,19)20)14(12)21-13-7-10-15(13)8-2-1-3-9-15/h4-6,13,21H,1-3,7-10H2
InChIKeyITEDUQIKEJOVTI-UHFFFAOYSA-N
MW317.78 g/mol
LogP5.88
Rot. Bonds2

About N-[2-chloro-6-(trifluoromethyl)phenyl]spiro[3.5]nonan-3-amine

N-[2-chloro-6-(trifluoromethyl)phenyl]spiro[3.5]nonan-3-amine (PubChem CID 102951387) has the molecular formula C16H19ClF3N and a molecular weight of 317.78 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]spiro[3.5]nonan-3-amine
PubChem CID102951387
Molecular FormulaC16H19ClF3N
Molecular Weight317.78 g/mol
Exact Mass317.12
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]spiro[3.5]nonan-3-amine
SMILESFC(F)(F)c1cccc(Cl)c1NC1CCC12CCCCC2
InChIInChI=1S/C16H19ClF3N/c17-12-6-4-5-11(16(18,19)20)14(12)21-13-7-10-15(13)8-2-1-3-9-15/h4-6,13,21H,1-3,7-10H2
InChIKeyITEDUQIKEJOVTI-UHFFFAOYSA-N
XLogP5.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.78
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]spiro[3.5]nonan-3-amine?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]spiro[3.5]nonan-3-amine (CID 102951387) is N-[2-chloro-6-(trifluoromethyl)phenyl]spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]spiro[3.5]nonan-3-amine?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]spiro[3.5]nonan-3-amine is FC(F)(F)c1cccc(Cl)c1NC1CCC12CCCCC2.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]spiro[3.5]nonan-3-amine?
The InChIKey is ITEDUQIKEJOVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF3N/c17-12-6-4-5-11(16(18,19)20)14(12)21-13-7-10-15(13)8-2-1-3-9-15/h4-6,13,21H,1-3,7-10H2.
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]spiro[3.5]nonan-3-amine?
N-[2-chloro-6-(trifluoromethyl)phenyl]spiro[3.5]nonan-3-amine has a molecular weight of 317.78 g/mol, XLogP of 5.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]spiro[3.5]nonan-3-amine is sourced from PubChem (CID 102951387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).