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

C12H15ClF3NO — CID 171207711

IUPAC(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C12H14F3NO.ClH/c1-2-3-4-11(16)9-5-7-10(8-6-9)17-12(13,14)15;/h2,5-8,11H,1,3-4,16H2;1H/t11-;/m1./s1
InChIKeyUGRFLPNQHQKSLP-RFVHGSKJSA-N
MW281.71 g/mol
LogP3.97
Rot. Bonds5

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

(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride (PubChem CID 171207711) has the molecular formula C12H15ClF3NO and a molecular weight of 281.71 g/mol. Its IUPAC name is (1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride
PubChem CID171207711
Molecular FormulaC12H15ClF3NO
Molecular Weight281.71 g/mol
Exact Mass281.08
IUPAC Name(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C12H14F3NO.ClH/c1-2-3-4-11(16)9-5-7-10(8-6-9)17-12(13,14)15;/h2,5-8,11H,1,3-4,16H2;1H/t11-;/m1./s1
InChIKeyUGRFLPNQHQKSLP-RFVHGSKJSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[4-(trifluoromethoxy)phenyl]but-3-en-1-amine;hydrochloride
CID 171227266
(1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 171227277
(1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride
CID 171199075
(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride
CID 171227921
4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 104992805
(1R)-4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 171207695
(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 86712019
(1S)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171227274
(1S)-1-(4-ethoxyphenyl)pent-4-en-1-amine
CID 171220253
1-[4-(trifluoromethoxy)phenyl]hex-5-enylhydrazine
CID 105311316
N-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
CID 104987768
(1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171313749

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride (CID 171207711) is (1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride is C=CCC[C@@H](N)c1ccc(OC(F)(F)F)cc1.Cl.
What is the InChIKey of (1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride?
The InChIKey is UGRFLPNQHQKSLP-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H14F3NO.ClH/c1-2-3-4-11(16)9-5-7-10(8-6-9)17-12(13,14)15;/h2,5-8,11H,1,3-4,16H2;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride?
(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride has a molecular weight of 281.71 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 171207711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).