N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine

C14H16F3NO — CID 79903806

IUPACN-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESFc1cc(NC2CCOC3(CCC3)C2)cc(F)c1F
InChIInChI=1S/C14H16F3NO/c15-11-6-10(7-12(16)13(11)17)18-9-2-5-19-14(8-9)3-1-4-14/h6-7,9,18H,1-5,8H2
InChIKeyPNRLDEGJFLFHHB-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.62
Rot. Bonds2

About N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine

N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79903806) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79903806
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC NameN-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESFc1cc(NC2CCOC3(CCC3)C2)cc(F)c1F
InChIInChI=1S/C14H16F3NO/c15-11-6-10(7-12(16)13(11)17)18-9-2-5-19-14(8-9)3-1-4-14/h6-7,9,18H,1-5,8H2
InChIKeyPNRLDEGJFLFHHB-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 107365132
N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898455
N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897853
N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897456
N-[2-fluoro-5-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79899901
N-(3,4,5-trifluorophenyl)oxolan-3-amine
CID 63335709
N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898100
4-N,4-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,4-diamine
CID 79895553
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895813
3,5-difluoro-4-(1-oxaspiro[5.5]undecan-4-ylamino)benzonitrile
CID 133377939
N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895150

Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79903806) is N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine is Fc1cc(NC2CCOC3(CCC3)C2)cc(F)c1F.
What is the InChIKey of N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is PNRLDEGJFLFHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c15-11-6-10(7-12(16)13(11)17)18-9-2-5-19-14(8-9)3-1-4-14/h6-7,9,18H,1-5,8H2.
What are the key properties of N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 271.28 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79903806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).