3-(aminomethyl)-3-fluoropentan-1-ol

C6H14FNO — CID 129135446

IUPAC3-(aminomethyl)-3-fluoropentan-1-ol
SMILESCCC(F)(CN)CCO
InChIInChI=1S/C6H14FNO/c1-2-6(7,5-8)3-4-9/h9H,2-5,8H2,1H3
InChIKeyGWPHQGDPATVASM-UHFFFAOYSA-N
MW135.18 g/mol
LogP0.45
Rot. Bonds4

About 3-(aminomethyl)-3-fluoropentan-1-ol

3-(aminomethyl)-3-fluoropentan-1-ol (PubChem CID 129135446) has the molecular formula C6H14FNO and a molecular weight of 135.18 g/mol. Its IUPAC name is 3-(aminomethyl)-3-fluoropentan-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3-fluoropentan-1-ol
PubChem CID129135446
Molecular FormulaC6H14FNO
Molecular Weight135.18 g/mol
Exact Mass135.11
IUPAC Name3-(aminomethyl)-3-fluoropentan-1-ol
SMILESCCC(F)(CN)CCO
InChIInChI=1S/C6H14FNO/c1-2-6(7,5-8)3-4-9/h9H,2-5,8H2,1H3
InChIKeyGWPHQGDPATVASM-UHFFFAOYSA-N
XLogP0.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-3-fluoropentan-1-ol 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

2-ethyl-2-fluoro-5-methylsulfonylpentan-1-amine
CID 112565951
3-(aminomethyl)-3-propylhexan-1-ol
CID 66092129
2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride
CID 122239512
4-amino-3,3-dimethylbutan-1-ol
CID 55290156
3,4-diamino-3-methylbutan-1-ol
CID 150597042
2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine
CID 122239772
2-fluoro-5,5-dimethyl-2-propylhexan-1-amine
CID 112567666
pentane-1,3,3-triol
CID 22001019
4-ethyl-4-fluoroheptane;propane
CID 171657626
2-ethyl-2-fluorodecan-1-ol
CID 87200056
2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 112566058
2-fluoro-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
CID 112566026

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-fluoropentan-1-ol?
The IUPAC name of 3-(aminomethyl)-3-fluoropentan-1-ol (CID 129135446) is 3-(aminomethyl)-3-fluoropentan-1-ol.
What is the SMILES notation for 3-(aminomethyl)-3-fluoropentan-1-ol?
The canonical SMILES for 3-(aminomethyl)-3-fluoropentan-1-ol is CCC(F)(CN)CCO.
What is the InChIKey of 3-(aminomethyl)-3-fluoropentan-1-ol?
The InChIKey is GWPHQGDPATVASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO/c1-2-6(7,5-8)3-4-9/h9H,2-5,8H2,1H3.
What are the key properties of 3-(aminomethyl)-3-fluoropentan-1-ol?
3-(aminomethyl)-3-fluoropentan-1-ol has a molecular weight of 135.18 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-fluoropentan-1-ol is sourced from PubChem (CID 129135446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).