4-[[(2S)-4,4-difluoropyrrolidin-2-yl]methylamino]adamantan-1-ol

C15H24F2N2O — CID 66774547

IUPAC4-[[(2S)-4,4-difluoropyrrolidin-2-yl]methylamino]adamantan-1-ol
SMILESOC12CC3CC(C1)C(NC[C@@H]1CC(F)(F)CN1)C(C3)C2
InChIInChI=1S/C15H24F2N2O/c16-15(17)6-12(19-8-15)7-18-13-10-1-9-2-11(13)5-14(20,3-9)4-10/h9-13,18-20H,1-8H2/t9?,10?,11?,12-,13?,14?/m0/s1
InChIKeyFMFXIJSGPFRXDH-UJGBTEKNSA-N
MW286.37 g/mol
LogP1.51
Rot. Bonds3

About 4-[[(2S)-4,4-difluoropyrrolidin-2-yl]methylamino]adamantan-1-ol

4-[[(2S)-4,4-difluoropyrrolidin-2-yl]methylamino]adamantan-1-ol (PubChem CID 66774547) has the molecular formula C15H24F2N2O and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[[(2S)-4,4-difluoropyrrolidin-2-yl]methylamino]adamantan-1-ol.

Molecular Properties

Compound Name4-[[(2S)-4,4-difluoropyrrolidin-2-yl]methylamino]adamantan-1-ol
PubChem CID66774547
Molecular FormulaC15H24F2N2O
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-[[(2S)-4,4-difluoropyrrolidin-2-yl]methylamino]adamantan-1-ol
SMILESOC12CC3CC(C1)C(NC[C@@H]1CC(F)(F)CN1)C(C3)C2
InChIInChI=1S/C15H24F2N2O/c16-15(17)6-12(19-8-15)7-18-13-10-1-9-2-11(13)5-14(20,3-9)4-10/h9-13,18-20H,1-8H2/t9?,10?,11?,12-,13?,14?/m0/s1
InChIKeyFMFXIJSGPFRXDH-UJGBTEKNSA-N
XLogP1.51
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-4,4-difluoropyrrolidin-2-yl]methylamino]adamantan-1-ol?
The IUPAC name of 4-[[(2S)-4,4-difluoropyrrolidin-2-yl]methylamino]adamantan-1-ol (CID 66774547) is 4-[[(2S)-4,4-difluoropyrrolidin-2-yl]methylamino]adamantan-1-ol.
What is the SMILES notation for 4-[[(2S)-4,4-difluoropyrrolidin-2-yl]methylamino]adamantan-1-ol?
The canonical SMILES for 4-[[(2S)-4,4-difluoropyrrolidin-2-yl]methylamino]adamantan-1-ol is OC12CC3CC(C1)C(NC[C@@H]1CC(F)(F)CN1)C(C3)C2.
What is the InChIKey of 4-[[(2S)-4,4-difluoropyrrolidin-2-yl]methylamino]adamantan-1-ol?
The InChIKey is FMFXIJSGPFRXDH-UJGBTEKNSA-N. The full InChI is InChI=1S/C15H24F2N2O/c16-15(17)6-12(19-8-15)7-18-13-10-1-9-2-11(13)5-14(20,3-9)4-10/h9-13,18-20H,1-8H2/t9?,10?,11?,12-,13?,14?/m0/s1.
What are the key properties of 4-[[(2S)-4,4-difluoropyrrolidin-2-yl]methylamino]adamantan-1-ol?
4-[[(2S)-4,4-difluoropyrrolidin-2-yl]methylamino]adamantan-1-ol has a molecular weight of 286.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-4,4-difluoropyrrolidin-2-yl]methylamino]adamantan-1-ol is sourced from PubChem (CID 66774547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).