3-fluoro-2,2-dimethylpropan-1-amine;hydrochloride

C5H13ClFN — CID 13422496

IUPAC3-fluoro-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCC(C)(CN)CF.Cl
InChIInChI=1S/C5H12FN.ClH/c1-5(2,3-6)4-7;/h3-4,7H2,1-2H3;1H
InChIKeyHEXWULANUUVCLN-UHFFFAOYSA-N
MW141.62 g/mol
LogP1.36
Rot. Bonds2

About 3-fluoro-2,2-dimethylpropan-1-amine;hydrochloride

3-fluoro-2,2-dimethylpropan-1-amine;hydrochloride (PubChem CID 13422496) has the molecular formula C5H13ClFN and a molecular weight of 141.62 g/mol. Its IUPAC name is 3-fluoro-2,2-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-fluoro-2,2-dimethylpropan-1-amine;hydrochloride
PubChem CID13422496
Molecular FormulaC5H13ClFN
Molecular Weight141.62 g/mol
Exact Mass141.07
IUPAC Name3-fluoro-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCC(C)(CN)CF.Cl
InChIInChI=1S/C5H12FN.ClH/c1-5(2,3-6)4-7;/h3-4,7H2,1-2H3;1H
InChIKeyHEXWULANUUVCLN-UHFFFAOYSA-N
XLogP1.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.62
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-2,2-dimethylpropan-1-amine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-fluoro-2,2-dimethylpropan-1-amine;hydrochloride (CID 13422496) is 3-fluoro-2,2-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-fluoro-2,2-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-fluoro-2,2-dimethylpropan-1-amine;hydrochloride is CC(C)(CN)CF.Cl.
What is the InChIKey of 3-fluoro-2,2-dimethylpropan-1-amine;hydrochloride?
The InChIKey is HEXWULANUUVCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FN.ClH/c1-5(2,3-6)4-7;/h3-4,7H2,1-2H3;1H.
What are the key properties of 3-fluoro-2,2-dimethylpropan-1-amine;hydrochloride?
3-fluoro-2,2-dimethylpropan-1-amine;hydrochloride has a molecular weight of 141.62 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 13422496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).