(1R)-1-[4-(difluoromethyl)-3-fluorophenyl]prop-2-en-1-amine;hydrochloride

C10H11ClF3N — CID 162344451

IUPAC(1R)-1-[4-(difluoromethyl)-3-fluorophenyl]prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1ccc(C(F)F)c(F)c1.Cl
InChIInChI=1S/C10H10F3N.ClH/c1-2-9(14)6-3-4-7(10(12)13)8(11)5-6;/h2-5,9-10H,1,14H2;1H/t9-;/m1./s1
InChIKeyMRFREGNHVXNIJU-SBSPUUFOSA-N
MW237.65 g/mol
LogP3.37
Rot. Bonds3

About (1R)-1-[4-(difluoromethyl)-3-fluorophenyl]prop-2-en-1-amine;hydrochloride

(1R)-1-[4-(difluoromethyl)-3-fluorophenyl]prop-2-en-1-amine;hydrochloride (PubChem CID 162344451) has the molecular formula C10H11ClF3N and a molecular weight of 237.65 g/mol. Its IUPAC name is (1R)-1-[4-(difluoromethyl)-3-fluorophenyl]prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[4-(difluoromethyl)-3-fluorophenyl]prop-2-en-1-amine;hydrochloride
PubChem CID162344451
Molecular FormulaC10H11ClF3N
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC Name(1R)-1-[4-(difluoromethyl)-3-fluorophenyl]prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1ccc(C(F)F)c(F)c1.Cl
InChIInChI=1S/C10H10F3N.ClH/c1-2-9(14)6-3-4-7(10(12)13)8(11)5-6;/h2-5,9-10H,1,14H2;1H/t9-;/m1./s1
InChIKeyMRFREGNHVXNIJU-SBSPUUFOSA-N
XLogP3.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 53.37
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-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171210030
(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
[4-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol
CID 131196207
(1S)-1-(3,4,5-trifluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171225393
1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine
CID 55271412
(1S)-1-[4-(difluoromethyl)-3-fluorophenyl]-2,2,2-trifluoroethanamine
CID 66511140
(1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine
CID 55278214
1-(2,4-difluorophenyl)prop-2-en-1-amine
CID 55283550
(1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
CID 171205858
2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol
CID 84684485
(1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine
CID 55277971

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(difluoromethyl)-3-fluorophenyl]prop-2-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-[4-(difluoromethyl)-3-fluorophenyl]prop-2-en-1-amine;hydrochloride (CID 162344451) is (1R)-1-[4-(difluoromethyl)-3-fluorophenyl]prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-[4-(difluoromethyl)-3-fluorophenyl]prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-[4-(difluoromethyl)-3-fluorophenyl]prop-2-en-1-amine;hydrochloride is C=C[C@@H](N)c1ccc(C(F)F)c(F)c1.Cl.
What is the InChIKey of (1R)-1-[4-(difluoromethyl)-3-fluorophenyl]prop-2-en-1-amine;hydrochloride?
The InChIKey is MRFREGNHVXNIJU-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H10F3N.ClH/c1-2-9(14)6-3-4-7(10(12)13)8(11)5-6;/h2-5,9-10H,1,14H2;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-[4-(difluoromethyl)-3-fluorophenyl]prop-2-en-1-amine;hydrochloride?
(1R)-1-[4-(difluoromethyl)-3-fluorophenyl]prop-2-en-1-amine;hydrochloride has a molecular weight of 237.65 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(difluoromethyl)-3-fluorophenyl]prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 162344451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).