2-amino-4-(fluoromethyl)adamantan-1-ol

C11H18FNO — CID 67054472

IUPAC2-amino-4-(fluoromethyl)adamantan-1-ol
SMILESNC1C2CC3CC(CC1(O)C3)C2CF
InChIInChI=1S/C11H18FNO/c12-5-9-7-1-6-2-8(9)10(13)11(14,3-6)4-7/h6-10,14H,1-5,13H2
InChIKeyWTOJJQQCIQELGA-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.08
Rot. Bonds1

About 2-amino-4-(fluoromethyl)adamantan-1-ol

2-amino-4-(fluoromethyl)adamantan-1-ol (PubChem CID 67054472) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-amino-4-(fluoromethyl)adamantan-1-ol.

Molecular Properties

Compound Name2-amino-4-(fluoromethyl)adamantan-1-ol
PubChem CID67054472
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name2-amino-4-(fluoromethyl)adamantan-1-ol
SMILESNC1C2CC3CC(CC1(O)C3)C2CF
InChIInChI=1S/C11H18FNO/c12-5-9-7-1-6-2-8(9)10(13)11(14,3-6)4-7/h6-10,14H,1-5,13H2
InChIKeyWTOJJQQCIQELGA-UHFFFAOYSA-N
XLogP1.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(fluoromethyl)adamantan-1-ol?
The IUPAC name of 2-amino-4-(fluoromethyl)adamantan-1-ol (CID 67054472) is 2-amino-4-(fluoromethyl)adamantan-1-ol.
What is the SMILES notation for 2-amino-4-(fluoromethyl)adamantan-1-ol?
The canonical SMILES for 2-amino-4-(fluoromethyl)adamantan-1-ol is NC1C2CC3CC(CC1(O)C3)C2CF.
What is the InChIKey of 2-amino-4-(fluoromethyl)adamantan-1-ol?
The InChIKey is WTOJJQQCIQELGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c12-5-9-7-1-6-2-8(9)10(13)11(14,3-6)4-7/h6-10,14H,1-5,13H2.
What are the key properties of 2-amino-4-(fluoromethyl)adamantan-1-ol?
2-amino-4-(fluoromethyl)adamantan-1-ol has a molecular weight of 199.27 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(fluoromethyl)adamantan-1-ol is sourced from PubChem (CID 67054472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).