(1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride

C9H10ClF2N — CID 171210030

IUPAC(1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1ccc(F)c(F)c1.Cl
InChIInChI=1S/C9H9F2N.ClH/c1-2-9(12)6-3-4-7(10)8(11)5-6;/h2-5,9H,1,12H2;1H/t9-;/m1./s1
InChIKeyYDOSMILYCIWITB-SBSPUUFOSA-N
MW205.63 g/mol
LogP2.57
Rot. Bonds2

About (1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride

(1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride (PubChem CID 171210030) has the molecular formula C9H10ClF2N and a molecular weight of 205.63 g/mol. Its IUPAC name is (1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride
PubChem CID171210030
Molecular FormulaC9H10ClF2N
Molecular Weight205.63 g/mol
Exact Mass205.05
IUPAC Name(1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1ccc(F)c(F)c1.Cl
InChIInChI=1S/C9H9F2N.ClH/c1-2-9(12)6-3-4-7(10)8(11)5-6;/h2-5,9H,1,12H2;1H/t9-;/m1./s1
InChIKeyYDOSMILYCIWITB-SBSPUUFOSA-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 ≤ 500205.63
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-[4-(difluoromethyl)-3-fluorophenyl]prop-2-en-1-amine;hydrochloride
CID 162344451
(1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine
CID 55278214
(1S)-1-(4-bromo-3-fluorophenyl)prop-2-en-1-amine
CID 130641131
1-(4-bromo-3-fluorophenyl)prop-2-en-1-amine
CID 112693549
1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine
CID 55271412
(1S)-1-(3,4,5-trifluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171225393
(1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
CID 171205858
[4-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol
CID 131196207
1-(4-chlorophenyl)prop-2-en-1-amine
CID 12987192
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147
4-[(1S)-1-aminoprop-2-enyl]benzene-1,2-diol
CID 130618463
(1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine
CID 55277971

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride (CID 171210030) is (1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride is C=C[C@@H](N)c1ccc(F)c(F)c1.Cl.
What is the InChIKey of (1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride?
The InChIKey is YDOSMILYCIWITB-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H9F2N.ClH/c1-2-9(12)6-3-4-7(10)8(11)5-6;/h2-5,9H,1,12H2;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride?
(1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride has a molecular weight of 205.63 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-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 171210030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).