1-[cyclobutyl(methyl)amino]-3-fluoropropan-2-ol

C8H16FNO — CID 131219837

IUPAC1-[cyclobutyl(methyl)amino]-3-fluoropropan-2-ol
SMILESCN(CC(O)CF)C1CCC1
InChIInChI=1S/C8H16FNO/c1-10(6-8(11)5-9)7-3-2-4-7/h7-8,11H,2-6H2,1H3
InChIKeyQZKZBCNKIDMWNL-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds4

About 1-[cyclobutyl(methyl)amino]-3-fluoropropan-2-ol

1-[cyclobutyl(methyl)amino]-3-fluoropropan-2-ol (PubChem CID 131219837) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 1-[cyclobutyl(methyl)amino]-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-[cyclobutyl(methyl)amino]-3-fluoropropan-2-ol
PubChem CID131219837
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name1-[cyclobutyl(methyl)amino]-3-fluoropropan-2-ol
SMILESCN(CC(O)CF)C1CCC1
InChIInChI=1S/C8H16FNO/c1-10(6-8(11)5-9)7-3-2-4-7/h7-8,11H,2-6H2,1H3
InChIKeyQZKZBCNKIDMWNL-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutyl(methyl)amino]-3-fluoropropan-2-ol?
The IUPAC name of 1-[cyclobutyl(methyl)amino]-3-fluoropropan-2-ol (CID 131219837) is 1-[cyclobutyl(methyl)amino]-3-fluoropropan-2-ol.
What is the SMILES notation for 1-[cyclobutyl(methyl)amino]-3-fluoropropan-2-ol?
The canonical SMILES for 1-[cyclobutyl(methyl)amino]-3-fluoropropan-2-ol is CN(CC(O)CF)C1CCC1.
What is the InChIKey of 1-[cyclobutyl(methyl)amino]-3-fluoropropan-2-ol?
The InChIKey is QZKZBCNKIDMWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-10(6-8(11)5-9)7-3-2-4-7/h7-8,11H,2-6H2,1H3.
What are the key properties of 1-[cyclobutyl(methyl)amino]-3-fluoropropan-2-ol?
1-[cyclobutyl(methyl)amino]-3-fluoropropan-2-ol has a molecular weight of 161.22 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutyl(methyl)amino]-3-fluoropropan-2-ol is sourced from PubChem (CID 131219837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).