3-fluorobutan-1-amine;hydrochloride

C4H11ClFN — CID 84716075

IUPAC3-fluorobutan-1-amine;hydrochloride
SMILESCC(F)CCN.Cl
InChIInChI=1S/C4H10FN.ClH/c1-4(5)2-3-6;/h4H,2-3,6H2,1H3;1H
InChIKeyRPOLLDODSJUDSN-UHFFFAOYSA-N
MW127.59 g/mol
LogP1.12
Rot. Bonds2

About 3-fluorobutan-1-amine;hydrochloride

3-fluorobutan-1-amine;hydrochloride (PubChem CID 84716075) has the molecular formula C4H11ClFN and a molecular weight of 127.59 g/mol. Its IUPAC name is 3-fluorobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-fluorobutan-1-amine;hydrochloride
PubChem CID84716075
Molecular FormulaC4H11ClFN
Molecular Weight127.59 g/mol
Exact Mass127.06
IUPAC Name3-fluorobutan-1-amine;hydrochloride
SMILESCC(F)CCN.Cl
InChIInChI=1S/C4H10FN.ClH/c1-4(5)2-3-6;/h4H,2-3,6H2,1H3;1H
InChIKeyRPOLLDODSJUDSN-UHFFFAOYSA-N
XLogP1.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.59
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluorobutan-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

Related Compounds

Butylamine
CID 8007
n-Butylamine hydrochloride
CID 19726
Butylamine hydrochloride
CID 6432400
Butylammonium
CID 3614750
Butylamide
CID 22027117
(~2~H_9_)Butan-1-(~2~H_2_)amine
CID 71309278
1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1)
CID 187408
4,4-Difluorobutan-1-amine hydrochloride
CID 2758267
3-Fluoropropan-1-amine hydrochloride
CID 21907455
4-Fluorobutan-1-amine hydrochloride
CID 22667104
2-Fluoro-2-methylpropan-1-amine hydrochloride
CID 55289630
2,2-Difluorobutan-1-amine hydrochloride
CID 71755557

Frequently Asked Questions

What is the IUPAC name of 3-fluorobutan-1-amine;hydrochloride?
The IUPAC name of 3-fluorobutan-1-amine;hydrochloride (CID 84716075) is 3-fluorobutan-1-amine;hydrochloride.
What is the SMILES notation for 3-fluorobutan-1-amine;hydrochloride?
The canonical SMILES for 3-fluorobutan-1-amine;hydrochloride is CC(F)CCN.Cl.
What is the InChIKey of 3-fluorobutan-1-amine;hydrochloride?
The InChIKey is RPOLLDODSJUDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FN.ClH/c1-4(5)2-3-6;/h4H,2-3,6H2,1H3;1H.
What are the key properties of 3-fluorobutan-1-amine;hydrochloride?
3-fluorobutan-1-amine;hydrochloride has a molecular weight of 127.59 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobutan-1-amine;hydrochloride is sourced from PubChem (CID 84716075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).