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

C7H16FNO — CID 123245598

IUPAC2-amino-2-(fluoromethyl)-4-methylpentan-1-ol
SMILESCC(C)CC(N)(CO)CF
InChIInChI=1S/C7H16FNO/c1-6(2)3-7(9,4-8)5-10/h6,10H,3-5,9H2,1-2H3
InChIKeyAWMPIJASSRBTBA-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.69
Rot. Bonds4

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

2-amino-2-(fluoromethyl)-4-methylpentan-1-ol (PubChem CID 123245598) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is 2-amino-2-(fluoromethyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-2-(fluoromethyl)-4-methylpentan-1-ol
PubChem CID123245598
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name2-amino-2-(fluoromethyl)-4-methylpentan-1-ol
SMILESCC(C)CC(N)(CO)CF
InChIInChI=1S/C7H16FNO/c1-6(2)3-7(9,4-8)5-10/h6,10H,3-5,9H2,1-2H3
InChIKeyAWMPIJASSRBTBA-UHFFFAOYSA-N
XLogP0.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(fluoromethyl)-4-methylpentan-1-ol?
The IUPAC name of 2-amino-2-(fluoromethyl)-4-methylpentan-1-ol (CID 123245598) is 2-amino-2-(fluoromethyl)-4-methylpentan-1-ol.
What is the SMILES notation for 2-amino-2-(fluoromethyl)-4-methylpentan-1-ol?
The canonical SMILES for 2-amino-2-(fluoromethyl)-4-methylpentan-1-ol is CC(C)CC(N)(CO)CF.
What is the InChIKey of 2-amino-2-(fluoromethyl)-4-methylpentan-1-ol?
The InChIKey is AWMPIJASSRBTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-6(2)3-7(9,4-8)5-10/h6,10H,3-5,9H2,1-2H3.
What are the key properties of 2-amino-2-(fluoromethyl)-4-methylpentan-1-ol?
2-amino-2-(fluoromethyl)-4-methylpentan-1-ol has a molecular weight of 149.21 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(fluoromethyl)-4-methylpentan-1-ol is sourced from PubChem (CID 123245598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).