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

C16H20F3N — CID 65007104

IUPAC2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine
SMILESNC1(c2cccc(C(F)(F)F)c2)CC2(CCCCC2)C1
InChIInChI=1S/C16H20F3N/c17-16(18,19)13-6-4-5-12(9-13)15(20)10-14(11-15)7-2-1-3-8-14/h4-6,9H,1-3,7-8,10-11,20H2
InChIKeyUUUZAVMBRDUBRL-UHFFFAOYSA-N
MW283.34 g/mol
LogP4.60
Rot. Bonds1

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

2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine (PubChem CID 65007104) has the molecular formula C16H20F3N and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine
PubChem CID65007104
Molecular FormulaC16H20F3N
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine
SMILESNC1(c2cccc(C(F)(F)F)c2)CC2(CCCCC2)C1
InChIInChI=1S/C16H20F3N/c17-16(18,19)13-6-4-5-12(9-13)15(20)10-14(11-15)7-2-1-3-8-14/h4-6,9H,1-3,7-8,10-11,20H2
InChIKeyUUUZAVMBRDUBRL-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(trifluoromethyl)phenyl]spiro[3.4]octane-2-carbonitrile
CID 65003210
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 80705627
1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene
CID 59590181
1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine
CID 59438498
2-(3-nitrophenyl)spiro[3.5]nonan-2-amine
CID 103194032
2-(3-nitrophenyl)spiro[3.6]decan-2-amine
CID 103194041
2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 139573660
1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile
CID 43119035
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
CID 62621040
2-(3-nitrophenyl)spiro[3.4]octan-2-amine
CID 103194024
2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009223
N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine
CID 53318453

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine (CID 65007104) is 2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine is NC1(c2cccc(C(F)(F)F)c2)CC2(CCCCC2)C1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine?
The InChIKey is UUUZAVMBRDUBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N/c17-16(18,19)13-6-4-5-12(9-13)15(20)10-14(11-15)7-2-1-3-8-14/h4-6,9H,1-3,7-8,10-11,20H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine?
2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine has a molecular weight of 283.34 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine is sourced from PubChem (CID 65007104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).