1-fluoro-3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine

C10H20FNO — CID 83817897

IUPAC1-fluoro-3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine
SMILESCC(C)C(CF)NCC1CCCO1
InChIInChI=1S/C10H20FNO/c1-8(2)10(6-11)12-7-9-4-3-5-13-9/h8-10,12H,3-7H2,1-2H3
InChIKeyGNZWYMDSFGIECJ-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.75
Rot. Bonds5

About 1-fluoro-3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine

1-fluoro-3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine (PubChem CID 83817897) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 1-fluoro-3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name1-fluoro-3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine
PubChem CID83817897
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name1-fluoro-3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine
SMILESCC(C)C(CF)NCC1CCCO1
InChIInChI=1S/C10H20FNO/c1-8(2)10(6-11)12-7-9-4-3-5-13-9/h8-10,12H,3-7H2,1-2H3
InChIKeyGNZWYMDSFGIECJ-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine?
The IUPAC name of 1-fluoro-3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine (CID 83817897) is 1-fluoro-3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 1-fluoro-3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine?
The canonical SMILES for 1-fluoro-3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine is CC(C)C(CF)NCC1CCCO1.
What is the InChIKey of 1-fluoro-3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine?
The InChIKey is GNZWYMDSFGIECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-8(2)10(6-11)12-7-9-4-3-5-13-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 1-fluoro-3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine?
1-fluoro-3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine has a molecular weight of 189.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 83817897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).