2-fluoro-4-(oxolan-2-yl)butan-1-amine

C8H16FNO — CID 112562744

IUPAC2-fluoro-4-(oxolan-2-yl)butan-1-amine
SMILESNCC(F)CCC1CCCO1
InChIInChI=1S/C8H16FNO/c9-7(6-10)3-4-8-2-1-5-11-8/h7-8H,1-6,10H2
InChIKeyAHUKELLVSVEOAO-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.24
Rot. Bonds4

About 2-fluoro-4-(oxolan-2-yl)butan-1-amine

2-fluoro-4-(oxolan-2-yl)butan-1-amine (PubChem CID 112562744) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-fluoro-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-4-(oxolan-2-yl)butan-1-amine
PubChem CID112562744
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name2-fluoro-4-(oxolan-2-yl)butan-1-amine
SMILESNCC(F)CCC1CCCO1
InChIInChI=1S/C8H16FNO/c9-7(6-10)3-4-8-2-1-5-11-8/h7-8H,1-6,10H2
InChIKeyAHUKELLVSVEOAO-UHFFFAOYSA-N
XLogP1.24
TPSA35.25 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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Tetrahydrofuran-2-yl)butan-1-amine
CID 22407280
5-(Oxolan-2-yl)pentan-1-amine
CID 58527505
Tetrahydro-5-methyl-2-furanpropanamine
CID 55289661
4,4,4-Trifluoro-1-(oxolan-2-yl)butan-2-amine
CID 62604262
5,5,5-Trifluoro-1-(oxolan-2-yl)pentan-2-amine
CID 64567828
1,1,1-Trifluoro-6-(oxolan-2-yl)hexan-3-amine
CID 65164238
1,1,1-Trifluoro-5-(oxolan-2-yl)pentan-3-amine
CID 65164286
6,6,6-Trifluoro-1-(oxolan-2-yl)hexan-3-amine
CID 79953156
1,1,1-Trifluoro-7-(oxolan-2-yl)heptan-4-amine
CID 79953752
1-(2,2-Difluoroethoxy)-6-(oxolan-2-yl)hexan-3-amine
CID 103148922
1,1-Difluoro-5-(oxolan-2-yl)pentan-2-amine
CID 103516724
1,1-Difluoro-4-(oxolan-2-yl)butan-2-amine
CID 103516728

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 2-fluoro-4-(oxolan-2-yl)butan-1-amine (CID 112562744) is 2-fluoro-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 2-fluoro-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 2-fluoro-4-(oxolan-2-yl)butan-1-amine is NCC(F)CCC1CCCO1.
What is the InChIKey of 2-fluoro-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is AHUKELLVSVEOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c9-7(6-10)3-4-8-2-1-5-11-8/h7-8H,1-6,10H2.
What are the key properties of 2-fluoro-4-(oxolan-2-yl)butan-1-amine?
2-fluoro-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 161.22 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 112562744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).