5-amino-2-(fluoromethyl)-4-methylpentan-1-ol

C7H16FNO — CID 118420590

IUPAC5-amino-2-(fluoromethyl)-4-methylpentan-1-ol
SMILESCC(CN)CC(CO)CF
InChIInChI=1S/C7H16FNO/c1-6(4-9)2-7(3-8)5-10/h6-7,10H,2-5,9H2,1H3
InChIKeyIEZRODJSGRMGLA-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.55
Rot. Bonds5

About 5-amino-2-(fluoromethyl)-4-methylpentan-1-ol

5-amino-2-(fluoromethyl)-4-methylpentan-1-ol (PubChem CID 118420590) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is 5-amino-2-(fluoromethyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name5-amino-2-(fluoromethyl)-4-methylpentan-1-ol
PubChem CID118420590
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name5-amino-2-(fluoromethyl)-4-methylpentan-1-ol
SMILESCC(CN)CC(CO)CF
InChIInChI=1S/C7H16FNO/c1-6(4-9)2-7(3-8)5-10/h6-7,10H,2-5,9H2,1H3
InChIKeyIEZRODJSGRMGLA-UHFFFAOYSA-N
XLogP0.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(fluoromethyl)-4-methylpentan-1-ol?
The IUPAC name of 5-amino-2-(fluoromethyl)-4-methylpentan-1-ol (CID 118420590) is 5-amino-2-(fluoromethyl)-4-methylpentan-1-ol.
What is the SMILES notation for 5-amino-2-(fluoromethyl)-4-methylpentan-1-ol?
The canonical SMILES for 5-amino-2-(fluoromethyl)-4-methylpentan-1-ol is CC(CN)CC(CO)CF.
What is the InChIKey of 5-amino-2-(fluoromethyl)-4-methylpentan-1-ol?
The InChIKey is IEZRODJSGRMGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-6(4-9)2-7(3-8)5-10/h6-7,10H,2-5,9H2,1H3.
What are the key properties of 5-amino-2-(fluoromethyl)-4-methylpentan-1-ol?
5-amino-2-(fluoromethyl)-4-methylpentan-1-ol has a molecular weight of 149.21 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(fluoromethyl)-4-methylpentan-1-ol is sourced from PubChem (CID 118420590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).