2-fluoro-5-(oxolan-2-yl)-2-propylpentan-1-amine

C12H24FNO — CID 112567688

IUPAC2-fluoro-5-(oxolan-2-yl)-2-propylpentan-1-amine
SMILESCCCC(F)(CN)CCCC1CCCO1
InChIInChI=1S/C12H24FNO/c1-2-7-12(13,10-14)8-3-5-11-6-4-9-15-11/h11H,2-10,14H2,1H3
InChIKeyXUYMHXGDICWGLP-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.80
Rot. Bonds7

About 2-fluoro-5-(oxolan-2-yl)-2-propylpentan-1-amine

2-fluoro-5-(oxolan-2-yl)-2-propylpentan-1-amine (PubChem CID 112567688) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-fluoro-5-(oxolan-2-yl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-fluoro-5-(oxolan-2-yl)-2-propylpentan-1-amine
PubChem CID112567688
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name2-fluoro-5-(oxolan-2-yl)-2-propylpentan-1-amine
SMILESCCCC(F)(CN)CCCC1CCCO1
InChIInChI=1S/C12H24FNO/c1-2-7-12(13,10-14)8-3-5-11-6-4-9-15-11/h11H,2-10,14H2,1H3
InChIKeyXUYMHXGDICWGLP-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5,5-Dimethyloxolan-2-yl)propan-1-amine
CID 116522783
(2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine
CID 163926539
(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612976
4,4,4-Trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine
CID 82534815
4-Fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine
CID 103392598
4-Fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine
CID 103392628
2-[Fluoro(oxolan-3-yl)methyl]-3-methylbutan-1-amine
CID 107443524
3-Fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine
CID 107443533
3-Fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine
CID 107443727
4-Fluoro-4-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 112562282
4-Fluoro-4-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 112562490
3-Fluoro-3-[3-(oxolan-2-yl)propyl]cyclobutan-1-amine
CID 112563937

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(oxolan-2-yl)-2-propylpentan-1-amine?
The IUPAC name of 2-fluoro-5-(oxolan-2-yl)-2-propylpentan-1-amine (CID 112567688) is 2-fluoro-5-(oxolan-2-yl)-2-propylpentan-1-amine.
What is the SMILES notation for 2-fluoro-5-(oxolan-2-yl)-2-propylpentan-1-amine?
The canonical SMILES for 2-fluoro-5-(oxolan-2-yl)-2-propylpentan-1-amine is CCCC(F)(CN)CCCC1CCCO1.
What is the InChIKey of 2-fluoro-5-(oxolan-2-yl)-2-propylpentan-1-amine?
The InChIKey is XUYMHXGDICWGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-2-7-12(13,10-14)8-3-5-11-6-4-9-15-11/h11H,2-10,14H2,1H3.
What are the key properties of 2-fluoro-5-(oxolan-2-yl)-2-propylpentan-1-amine?
2-fluoro-5-(oxolan-2-yl)-2-propylpentan-1-amine has a molecular weight of 217.33 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(oxolan-2-yl)-2-propylpentan-1-amine is sourced from PubChem (CID 112567688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).