2-amino-2-(fluoromethyl)-7,8,8-trimethylnonan-1-ol

C13H28FNO — CID 144535652

IUPAC2-amino-2-(fluoromethyl)-7,8,8-trimethylnonan-1-ol
SMILESCC(CCCCC(N)(CO)CF)C(C)(C)C
InChIInChI=1S/C13H28FNO/c1-11(12(2,3)4)7-5-6-8-13(15,9-14)10-16/h11,16H,5-10,15H2,1-4H3
InChIKeyQYEYCBGYGWHFNW-UHFFFAOYSA-N
MW233.37 g/mol
LogP2.89
Rot. Bonds7

About 2-amino-2-(fluoromethyl)-7,8,8-trimethylnonan-1-ol

2-amino-2-(fluoromethyl)-7,8,8-trimethylnonan-1-ol (PubChem CID 144535652) has the molecular formula C13H28FNO and a molecular weight of 233.37 g/mol. Its IUPAC name is 2-amino-2-(fluoromethyl)-7,8,8-trimethylnonan-1-ol.

Molecular Properties

Compound Name2-amino-2-(fluoromethyl)-7,8,8-trimethylnonan-1-ol
PubChem CID144535652
Molecular FormulaC13H28FNO
Molecular Weight233.37 g/mol
Exact Mass233.22
IUPAC Name2-amino-2-(fluoromethyl)-7,8,8-trimethylnonan-1-ol
SMILESCC(CCCCC(N)(CO)CF)C(C)(C)C
InChIInChI=1S/C13H28FNO/c1-11(12(2,3)4)7-5-6-8-13(15,9-14)10-16/h11,16H,5-10,15H2,1-4H3
InChIKeyQYEYCBGYGWHFNW-UHFFFAOYSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(fluoromethyl)-7,8,8-trimethylnonan-1-ol?
The IUPAC name of 2-amino-2-(fluoromethyl)-7,8,8-trimethylnonan-1-ol (CID 144535652) is 2-amino-2-(fluoromethyl)-7,8,8-trimethylnonan-1-ol.
What is the SMILES notation for 2-amino-2-(fluoromethyl)-7,8,8-trimethylnonan-1-ol?
The canonical SMILES for 2-amino-2-(fluoromethyl)-7,8,8-trimethylnonan-1-ol is CC(CCCCC(N)(CO)CF)C(C)(C)C.
What is the InChIKey of 2-amino-2-(fluoromethyl)-7,8,8-trimethylnonan-1-ol?
The InChIKey is QYEYCBGYGWHFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28FNO/c1-11(12(2,3)4)7-5-6-8-13(15,9-14)10-16/h11,16H,5-10,15H2,1-4H3.
What are the key properties of 2-amino-2-(fluoromethyl)-7,8,8-trimethylnonan-1-ol?
2-amino-2-(fluoromethyl)-7,8,8-trimethylnonan-1-ol has a molecular weight of 233.37 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(fluoromethyl)-7,8,8-trimethylnonan-1-ol is sourced from PubChem (CID 144535652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).