2-fluoro-2-(oxolan-3-yl)pentan-1-amine

C9H18FNO — CID 112567819

IUPAC2-fluoro-2-(oxolan-3-yl)pentan-1-amine
SMILESCCCC(F)(CN)C1CCOC1
InChIInChI=1S/C9H18FNO/c1-2-4-9(10,7-11)8-3-5-12-6-8/h8H,2-7,11H2,1H3
InChIKeyASCLJLMCGRCAAP-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.49
Rot. Bonds4

About 2-fluoro-2-(oxolan-3-yl)pentan-1-amine

2-fluoro-2-(oxolan-3-yl)pentan-1-amine (PubChem CID 112567819) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-fluoro-2-(oxolan-3-yl)pentan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(oxolan-3-yl)pentan-1-amine
PubChem CID112567819
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name2-fluoro-2-(oxolan-3-yl)pentan-1-amine
SMILESCCCC(F)(CN)C1CCOC1
InChIInChI=1S/C9H18FNO/c1-2-4-9(10,7-11)8-3-5-12-6-8/h8H,2-7,11H2,1H3
InChIKeyASCLJLMCGRCAAP-UHFFFAOYSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-2-(oxolan-3-yl)pentan-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
CID 173574751
CID 173574751
2-Propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505889
[2-(2-Fluoroethoxymethyl)cyclopentyl]methanamine
CID 80695252
[2-(3-Fluoropropoxymethyl)cyclopentyl]methanamine
CID 81113510
4-Fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine
CID 103392416
4-Fluoro-4-(methoxymethyl)-5-methylheptan-1-amine
CID 103392585
4-Cyclopentyl-4-fluoro-5-methoxypentan-1-amine
CID 103392626
5-Ethyl-4-fluoro-4-(methoxymethyl)heptan-1-amine
CID 103392649
2-(3-Fluorooxolan-3-yl)propan-1-amine
CID 105429073
3-Fluoro-3-(oxolan-3-yl)butan-2-amine
CID 105431663
3-Fluoro-3-(oxolan-3-yl)butan-1-amine
CID 105431666

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(oxolan-3-yl)pentan-1-amine?
The IUPAC name of 2-fluoro-2-(oxolan-3-yl)pentan-1-amine (CID 112567819) is 2-fluoro-2-(oxolan-3-yl)pentan-1-amine.
What is the SMILES notation for 2-fluoro-2-(oxolan-3-yl)pentan-1-amine?
The canonical SMILES for 2-fluoro-2-(oxolan-3-yl)pentan-1-amine is CCCC(F)(CN)C1CCOC1.
What is the InChIKey of 2-fluoro-2-(oxolan-3-yl)pentan-1-amine?
The InChIKey is ASCLJLMCGRCAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-2-4-9(10,7-11)8-3-5-12-6-8/h8H,2-7,11H2,1H3.
What are the key properties of 2-fluoro-2-(oxolan-3-yl)pentan-1-amine?
2-fluoro-2-(oxolan-3-yl)pentan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(oxolan-3-yl)pentan-1-amine is sourced from PubChem (CID 112567819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).