2-fluoro-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine

C9H18FNO — CID 83816595

IUPAC2-fluoro-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(C)(F)CNCC1CCCO1
InChIInChI=1S/C9H18FNO/c1-9(2,10)7-11-6-8-4-3-5-12-8/h8,11H,3-7H2,1-2H3
InChIKeySHXDFWYPCXEADD-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds4

About 2-fluoro-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine

2-fluoro-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 83816595) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID83816595
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name2-fluoro-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(C)(F)CNCC1CCCO1
InChIInChI=1S/C9H18FNO/c1-9(2,10)7-11-6-8-4-3-5-12-8/h8,11H,3-7H2,1-2H3
InChIKeySHXDFWYPCXEADD-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-fluoro-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine (CID 83816595) is 2-fluoro-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-fluoro-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-fluoro-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine is CC(C)(F)CNCC1CCCO1.
What is the InChIKey of 2-fluoro-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is SHXDFWYPCXEADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(2,10)7-11-6-8-4-3-5-12-8/h8,11H,3-7H2,1-2H3.
What are the key properties of 2-fluoro-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine?
2-fluoro-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 83816595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).