(1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride

C11H13ClF3N — CID 171205839

IUPAC(1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1cc(F)c(F)c(F)c1.Cl
InChIInChI=1S/C11H12F3N.ClH/c1-2-3-4-10(15)7-5-8(12)11(14)9(13)6-7;/h2,5-6,10H,1,3-4,15H2;1H/t10-;/m1./s1
InChIKeyISFHLUODEUHDST-HNCPQSOCSA-N
MW251.68 g/mol
LogP3.49
Rot. Bonds4

About (1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride

(1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride (PubChem CID 171205839) has the molecular formula C11H13ClF3N and a molecular weight of 251.68 g/mol. Its IUPAC name is (1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride
PubChem CID171205839
Molecular FormulaC11H13ClF3N
Molecular Weight251.68 g/mol
Exact Mass251.07
IUPAC Name(1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1cc(F)c(F)c(F)c1.Cl
InChIInChI=1S/C11H12F3N.ClH/c1-2-3-4-10(15)7-5-8(12)11(14)9(13)6-7;/h2,5-6,10H,1,3-4,15H2;1H/t10-;/m1./s1
InChIKeyISFHLUODEUHDST-HNCPQSOCSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride
CID 171218283
(1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204371
(1S)-1-(3,4,5-trifluorophenyl)butane-1,4-diamine;hydrochloride
CID 171225390
(1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride
CID 171223529
(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride
CID 171227921
1-(3-bromo-4-fluorophenyl)pent-4-en-1-amine
CID 82808779
(1R)-1-(3,4,5-trifluorophenyl)hexan-1-amine;hydrochloride
CID 171205823
1-(3,4,5-trifluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 71758657
4-[(1R)-1-aminopent-4-enyl]-2,6-dichlorophenol;hydrochloride
CID 171205248
2-[(1R)-1-aminopent-4-enyl]-6-bromo-3,4-difluorophenol;hydrochloride
CID 171257867
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 171207433
(1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine
CID 124707183

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride (CID 171205839) is (1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride is C=CCC[C@@H](N)c1cc(F)c(F)c(F)c1.Cl.
What is the InChIKey of (1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride?
The InChIKey is ISFHLUODEUHDST-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H12F3N.ClH/c1-2-3-4-10(15)7-5-8(12)11(14)9(13)6-7;/h2,5-6,10H,1,3-4,15H2;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride?
(1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride has a molecular weight of 251.68 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 171205839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).