4,4-difluoroadamantan-1-amine

C10H15F2N — CID 4829688

IUPAC4,4-difluoroadamantan-1-amine
SMILESNC12CC3CC(C1)C(F)(F)C(C3)C2
InChIInChI=1S/C10H15F2N/c11-10(12)7-1-6-2-8(10)5-9(13,3-6)4-7/h6-8H,1-5,13H2
InChIKeyLQXYIRGMIHWPSD-UHFFFAOYSA-N
MW187.23 g/mol
LogP2.16
Rot. Bonds

About 4,4-difluoroadamantan-1-amine

4,4-difluoroadamantan-1-amine (PubChem CID 4829688) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is 4,4-difluoroadamantan-1-amine.

Molecular Properties

Compound Name4,4-difluoroadamantan-1-amine
PubChem CID4829688
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name4,4-difluoroadamantan-1-amine
SMILESNC12CC3CC(C1)C(F)(F)C(C3)C2
InChIInChI=1S/C10H15F2N/c11-10(12)7-1-6-2-8(10)5-9(13,3-6)4-7/h6-8H,1-5,13H2
InChIKeyLQXYIRGMIHWPSD-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoroadamantan-1-amine?
The IUPAC name of 4,4-difluoroadamantan-1-amine (CID 4829688) is 4,4-difluoroadamantan-1-amine.
What is the SMILES notation for 4,4-difluoroadamantan-1-amine?
The canonical SMILES for 4,4-difluoroadamantan-1-amine is NC12CC3CC(C1)C(F)(F)C(C3)C2.
What is the InChIKey of 4,4-difluoroadamantan-1-amine?
The InChIKey is LQXYIRGMIHWPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N/c11-10(12)7-1-6-2-8(10)5-9(13,3-6)4-7/h6-8H,1-5,13H2.
What are the key properties of 4,4-difluoroadamantan-1-amine?
4,4-difluoroadamantan-1-amine has a molecular weight of 187.23 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoroadamantan-1-amine is sourced from PubChem (CID 4829688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).