2-fluoro-2-(propan-2-yloxymethyl)pentan-1-amine

C9H20FNO — CID 112567693

IUPAC2-fluoro-2-(propan-2-yloxymethyl)pentan-1-amine
SMILESCCCC(F)(CN)COC(C)C
InChIInChI=1S/C9H20FNO/c1-4-5-9(10,6-11)7-12-8(2)3/h8H,4-7,11H2,1-3H3
InChIKeyMRHPGDGWCUJOEB-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.88
Rot. Bonds6

About 2-fluoro-2-(propan-2-yloxymethyl)pentan-1-amine

2-fluoro-2-(propan-2-yloxymethyl)pentan-1-amine (PubChem CID 112567693) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is 2-fluoro-2-(propan-2-yloxymethyl)pentan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(propan-2-yloxymethyl)pentan-1-amine
PubChem CID112567693
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name2-fluoro-2-(propan-2-yloxymethyl)pentan-1-amine
SMILESCCCC(F)(CN)COC(C)C
InChIInChI=1S/C9H20FNO/c1-4-5-9(10,6-11)7-12-8(2)3/h8H,4-7,11H2,1-3H3
InChIKeyMRHPGDGWCUJOEB-UHFFFAOYSA-N
XLogP1.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(propan-2-yloxymethyl)pentan-1-amine?
The IUPAC name of 2-fluoro-2-(propan-2-yloxymethyl)pentan-1-amine (CID 112567693) is 2-fluoro-2-(propan-2-yloxymethyl)pentan-1-amine.
What is the SMILES notation for 2-fluoro-2-(propan-2-yloxymethyl)pentan-1-amine?
The canonical SMILES for 2-fluoro-2-(propan-2-yloxymethyl)pentan-1-amine is CCCC(F)(CN)COC(C)C.
What is the InChIKey of 2-fluoro-2-(propan-2-yloxymethyl)pentan-1-amine?
The InChIKey is MRHPGDGWCUJOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-4-5-9(10,6-11)7-12-8(2)3/h8H,4-7,11H2,1-3H3.
What are the key properties of 2-fluoro-2-(propan-2-yloxymethyl)pentan-1-amine?
2-fluoro-2-(propan-2-yloxymethyl)pentan-1-amine has a molecular weight of 177.26 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(propan-2-yloxymethyl)pentan-1-amine is sourced from PubChem (CID 112567693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).