3-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine

C12H24FNO — CID 107443533

IUPAC3-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine
SMILESCC(C)C(CN)C(F)CCC1CCCO1
InChIInChI=1S/C12H24FNO/c1-9(2)11(8-14)12(13)6-5-10-4-3-7-15-10/h9-12H,3-8,14H2,1-2H3
InChIKeyWEHXEVOMLMGIKH-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.51
Rot. Bonds6

About 3-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine

3-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine (PubChem CID 107443533) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 3-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name3-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine
PubChem CID107443533
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name3-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine
SMILESCC(C)C(CN)C(F)CCC1CCCO1
InChIInChI=1S/C12H24FNO/c1-9(2)11(8-14)12(13)6-5-10-4-3-7-15-10/h9-12H,3-8,14H2,1-2H3
InChIKeyWEHXEVOMLMGIKH-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 88572221
CID 88572221
[5-(2,4-Difluorocyclohexyl)oxolan-2-yl]methanamine
CID 140479037
(2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine
CID 163926539
(2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine
CID 166889514
CID 173574751
CID 173574751
(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-Cyclopentyl-4-fluoro-5-methoxypentan-1-amine
CID 103392626
4-Fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine
CID 103392628
4-Fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine
CID 103392700
3-Fluoro-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 104277094

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine?
The IUPAC name of 3-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine (CID 107443533) is 3-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine.
What is the SMILES notation for 3-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine?
The canonical SMILES for 3-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine is CC(C)C(CN)C(F)CCC1CCCO1.
What is the InChIKey of 3-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine?
The InChIKey is WEHXEVOMLMGIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-9(2)11(8-14)12(13)6-5-10-4-3-7-15-10/h9-12H,3-8,14H2,1-2H3.
What are the key properties of 3-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine?
3-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine has a molecular weight of 217.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine is sourced from PubChem (CID 107443533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).