(1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride

C9H10ClF2N — CID 171204130

IUPAC(1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1cccc(F)c1F.Cl
InChIInChI=1S/C9H9F2N.ClH/c1-2-8(12)6-4-3-5-7(10)9(6)11;/h2-5,8H,1,12H2;1H/t8-;/m1./s1
InChIKeyDODTYMKFGRXMAG-DDWIOCJRSA-N
MW205.64 g/mol
LogP2.57
Rot. Bonds2

About (1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride

(1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride (PubChem CID 171204130) has the molecular formula C9H10ClF2N and a molecular weight of 205.64 g/mol. Its IUPAC name is (1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride
PubChem CID171204130
Molecular FormulaC9H10ClF2N
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name(1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1cccc(F)c1F.Cl
InChIInChI=1S/C9H9F2N.ClH/c1-2-8(12)6-4-3-5-7(10)9(6)11;/h2-5,8H,1,12H2;1H/t8-;/m1./s1
InChIKeyDODTYMKFGRXMAG-DDWIOCJRSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171203034
1-(3-bromo-2-fluorophenyl)prop-2-en-1-amine
CID 103692976
2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile
CID 55274364
6-[(1S)-1-aminoprop-2-enyl]-2,3-difluorophenol;hydrochloride
CID 171253100
(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
CID 130740137
1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 75480584
(1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine
CID 55278217
(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride
CID 171204156
3-[(1S)-1-aminoprop-2-enyl]benzene-1,2-diol
CID 130642432
(1S)-1-(2,3-difluorophenyl)propane-1,3-diamine
CID 130986814
2-[(1S)-1-aminoprop-2-enyl]benzonitrile;hydrochloride
CID 171221589
(1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313008

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride (CID 171204130) is (1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride is C=C[C@@H](N)c1cccc(F)c1F.Cl.
What is the InChIKey of (1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride?
The InChIKey is DODTYMKFGRXMAG-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H9F2N.ClH/c1-2-8(12)6-4-3-5-7(10)9(6)11;/h2-5,8H,1,12H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride?
(1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride has a molecular weight of 205.64 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 171204130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).