2-fluoro-3,3-dimethyl-2-(propoxymethyl)butan-1-amine

C10H22FNO — CID 112566475

IUPAC2-fluoro-3,3-dimethyl-2-(propoxymethyl)butan-1-amine
SMILESCCCOCC(F)(CN)C(C)(C)C
InChIInChI=1S/C10H22FNO/c1-5-6-13-8-10(11,7-12)9(2,3)4/h5-8,12H2,1-4H3
InChIKeySYCCTAHDCGPMBT-UHFFFAOYSA-N
MW191.29 g/mol
LogP2.13
Rot. Bonds5

About 2-fluoro-3,3-dimethyl-2-(propoxymethyl)butan-1-amine

2-fluoro-3,3-dimethyl-2-(propoxymethyl)butan-1-amine (PubChem CID 112566475) has the molecular formula C10H22FNO and a molecular weight of 191.29 g/mol. Its IUPAC name is 2-fluoro-3,3-dimethyl-2-(propoxymethyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3,3-dimethyl-2-(propoxymethyl)butan-1-amine
PubChem CID112566475
Molecular FormulaC10H22FNO
Molecular Weight191.29 g/mol
Exact Mass191.17
IUPAC Name2-fluoro-3,3-dimethyl-2-(propoxymethyl)butan-1-amine
SMILESCCCOCC(F)(CN)C(C)(C)C
InChIInChI=1S/C10H22FNO/c1-5-6-13-8-10(11,7-12)9(2,3)4/h5-8,12H2,1-4H3
InChIKeySYCCTAHDCGPMBT-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
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-fluoro-3,3-dimethyl-2-(propoxymethyl)butan-1-amine?
The IUPAC name of 2-fluoro-3,3-dimethyl-2-(propoxymethyl)butan-1-amine (CID 112566475) is 2-fluoro-3,3-dimethyl-2-(propoxymethyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-3,3-dimethyl-2-(propoxymethyl)butan-1-amine?
The canonical SMILES for 2-fluoro-3,3-dimethyl-2-(propoxymethyl)butan-1-amine is CCCOCC(F)(CN)C(C)(C)C.
What is the InChIKey of 2-fluoro-3,3-dimethyl-2-(propoxymethyl)butan-1-amine?
The InChIKey is SYCCTAHDCGPMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO/c1-5-6-13-8-10(11,7-12)9(2,3)4/h5-8,12H2,1-4H3.
What are the key properties of 2-fluoro-3,3-dimethyl-2-(propoxymethyl)butan-1-amine?
2-fluoro-3,3-dimethyl-2-(propoxymethyl)butan-1-amine has a molecular weight of 191.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,3-dimethyl-2-(propoxymethyl)butan-1-amine is sourced from PubChem (CID 112566475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).