3-(2-fluorophenyl)prop-2-yn-1-amine;hydrochloride

C9H9ClFN — CID 75365738

IUPAC3-(2-fluorophenyl)prop-2-yn-1-amine;hydrochloride
SMILESCl.NCC#Cc1ccccc1F
InChIInChI=1S/C9H8FN.ClH/c10-9-6-2-1-4-8(9)5-3-7-11;/h1-2,4,6H,7,11H2;1H
InChIKeyWSTGINHTQFXZJY-UHFFFAOYSA-N
MW185.63 g/mol
LogP1.56
Rot. Bonds

About 3-(2-fluorophenyl)prop-2-yn-1-amine;hydrochloride

3-(2-fluorophenyl)prop-2-yn-1-amine;hydrochloride (PubChem CID 75365738) has the molecular formula C9H9ClFN and a molecular weight of 185.63 g/mol. Its IUPAC name is 3-(2-fluorophenyl)prop-2-yn-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(2-fluorophenyl)prop-2-yn-1-amine;hydrochloride
PubChem CID75365738
Molecular FormulaC9H9ClFN
Molecular Weight185.63 g/mol
Exact Mass185.04
IUPAC Name3-(2-fluorophenyl)prop-2-yn-1-amine;hydrochloride
SMILESCl.NCC#Cc1ccccc1F
InChIInChI=1S/C9H8FN.ClH/c10-9-6-2-1-4-8(9)5-3-7-11;/h1-2,4,6H,7,11H2;1H
InChIKeyWSTGINHTQFXZJY-UHFFFAOYSA-N
XLogP1.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.63
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloroprop-1-ynyl)-2-fluorobenzene
CID 62491037
3-[2-[(2,3-difluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60799612
CID 66647890
CID 66647890
1-(3-azidoprop-1-ynyl)-2-fluorobenzene
CID 151883357
1-fluoro-2-tridec-1-ynylbenzene
CID 162401723
ethyl 4-(2-fluorophenyl)but-3-ynoate
CID 170470652
2-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]isoindole-1,3-dione
CID 130744613
2-(3-aminoprop-1-ynyl)benzoic acid
CID 67117343
3-(2,3,4,5-tetrafluorophenyl)prop-2-yn-1-amine
CID 130993739
3-[2-[(3-chloro-4-fluorophenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 63879183
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide
CID 104780831
1-[3-(dimethylsulfamoylamino)prop-1-ynyl]-2-fluorobenzene
CID 90552626

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)prop-2-yn-1-amine;hydrochloride?
The IUPAC name of 3-(2-fluorophenyl)prop-2-yn-1-amine;hydrochloride (CID 75365738) is 3-(2-fluorophenyl)prop-2-yn-1-amine;hydrochloride.
What is the SMILES notation for 3-(2-fluorophenyl)prop-2-yn-1-amine;hydrochloride?
The canonical SMILES for 3-(2-fluorophenyl)prop-2-yn-1-amine;hydrochloride is Cl.NCC#Cc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)prop-2-yn-1-amine;hydrochloride?
The InChIKey is WSTGINHTQFXZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN.ClH/c10-9-6-2-1-4-8(9)5-3-7-11;/h1-2,4,6H,7,11H2;1H.
What are the key properties of 3-(2-fluorophenyl)prop-2-yn-1-amine;hydrochloride?
3-(2-fluorophenyl)prop-2-yn-1-amine;hydrochloride has a molecular weight of 185.63 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)prop-2-yn-1-amine;hydrochloride is sourced from PubChem (CID 75365738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).