(1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride

C12H15ClF3N — CID 171199075

IUPAC(1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C12H14F3N.ClH/c1-2-3-4-11(16)9-5-7-10(8-6-9)12(13,14)15;/h2,5-8,11H,1,3-4,16H2;1H/t11-;/m1./s1
InChIKeyOUBAZIDLYJKMJM-RFVHGSKJSA-N
MW265.71 g/mol
LogP4.09
Rot. Bonds4

About (1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride

(1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride (PubChem CID 171199075) has the molecular formula C12H15ClF3N and a molecular weight of 265.71 g/mol. Its IUPAC name is (1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride
PubChem CID171199075
Molecular FormulaC12H15ClF3N
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC Name(1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C12H14F3N.ClH/c1-2-3-4-11(16)9-5-7-10(8-6-9)12(13,14)15;/h2,5-8,11H,1,3-4,16H2;1H/t11-;/m1./s1
InChIKeyOUBAZIDLYJKMJM-RFVHGSKJSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 54.09
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

(1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine
CID 171221408
(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride
CID 171207711
(1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride
CID 171200285
(3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride
CID 171231171
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 171207433
4-[(1S)-1-aminopent-4-enyl]phenol
CID 171217735
3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170875067
(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 171207213
(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride
CID 171227983
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
(1S)-1-[4-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171218575
(1R)-1-[4-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171199061

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride (CID 171199075) is (1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride is C=CCC[C@@H](N)c1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of (1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride?
The InChIKey is OUBAZIDLYJKMJM-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H14F3N.ClH/c1-2-3-4-11(16)9-5-7-10(8-6-9)12(13,14)15;/h2,5-8,11H,1,3-4,16H2;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride?
(1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride has a molecular weight of 265.71 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 171199075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).