2,2,3-trifluoroadamantan-1-amine

C10H14F3N — CID 69043162

IUPAC2,2,3-trifluoroadamantan-1-amine
SMILESNC12CC3CC(C1)CC(F)(C3)C2(F)F
InChIInChI=1S/C10H14F3N/c11-8-2-6-1-7(3-8)5-9(14,4-6)10(8,12)13/h6-7H,1-5,14H2
InChIKeyKSLVPTMYJKNJNK-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.25
Rot. Bonds

About 2,2,3-trifluoroadamantan-1-amine

2,2,3-trifluoroadamantan-1-amine (PubChem CID 69043162) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is 2,2,3-trifluoroadamantan-1-amine.

Molecular Properties

Compound Name2,2,3-trifluoroadamantan-1-amine
PubChem CID69043162
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name2,2,3-trifluoroadamantan-1-amine
SMILESNC12CC3CC(C1)CC(F)(C3)C2(F)F
InChIInChI=1S/C10H14F3N/c11-8-2-6-1-7(3-8)5-9(14,4-6)10(8,12)13/h6-7H,1-5,14H2
InChIKeyKSLVPTMYJKNJNK-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoroadamantan-1-amine?
The IUPAC name of 2,2,3-trifluoroadamantan-1-amine (CID 69043162) is 2,2,3-trifluoroadamantan-1-amine.
What is the SMILES notation for 2,2,3-trifluoroadamantan-1-amine?
The canonical SMILES for 2,2,3-trifluoroadamantan-1-amine is NC12CC3CC(C1)CC(F)(C3)C2(F)F.
What is the InChIKey of 2,2,3-trifluoroadamantan-1-amine?
The InChIKey is KSLVPTMYJKNJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c11-8-2-6-1-7(3-8)5-9(14,4-6)10(8,12)13/h6-7H,1-5,14H2.
What are the key properties of 2,2,3-trifluoroadamantan-1-amine?
2,2,3-trifluoroadamantan-1-amine has a molecular weight of 205.22 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoroadamantan-1-amine is sourced from PubChem (CID 69043162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).