N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine

C15H17ClF3NO — CID 79901887

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESFC(F)(F)c1cc(Cl)ccc1NC1CCOC2(CCC2)C1
InChIInChI=1S/C15H17ClF3NO/c16-10-2-3-13(12(8-10)15(17,18)19)20-11-4-7-21-14(9-11)5-1-6-14/h2-3,8,11,20H,1,4-7,9H2
InChIKeyVNYJZGSRZNLHOE-UHFFFAOYSA-N
MW319.75 g/mol
LogP4.87
Rot. Bonds2

About N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine

N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79901887) has the molecular formula C15H17ClF3NO and a molecular weight of 319.75 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79901887
Molecular FormulaC15H17ClF3NO
Molecular Weight319.75 g/mol
Exact Mass319.10
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESFC(F)(F)c1cc(Cl)ccc1NC1CCOC2(CCC2)C1
InChIInChI=1S/C15H17ClF3NO/c16-10-2-3-13(12(8-10)15(17,18)19)20-11-4-7-21-14(9-11)5-1-6-14/h2-3,8,11,20H,1,4-7,9H2
InChIKeyVNYJZGSRZNLHOE-UHFFFAOYSA-N
XLogP4.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-fluoro-5-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79899901
N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 81270688
5-chloro-2-(6-oxaspiro[4.5]decan-9-ylamino)benzonitrile
CID 133377675
4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile
CID 79903296
N-(4-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79895581
N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897853
N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 107634963
N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895813
N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898100
N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79899877
N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903806
N-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 107365132

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine (CID 79901887) is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine is FC(F)(F)c1cc(Cl)ccc1NC1CCOC2(CCC2)C1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is VNYJZGSRZNLHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3NO/c16-10-2-3-13(12(8-10)15(17,18)19)20-11-4-7-21-14(9-11)5-1-6-14/h2-3,8,11,20H,1,4-7,9H2.
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine?
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 319.75 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79901887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).