1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine

C12H16F3NS — CID 116627210

IUPAC1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
SMILESNC(CCCCSC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H16F3NS/c13-12(14,15)17-9-5-4-8-11(16)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9,16H2
InChIKeyOZYNWTSXHNAGPT-UHFFFAOYSA-N
MW263.33 g/mol
LogP4.11
Rot. Bonds6

About 1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine

1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine (PubChem CID 116627210) has the molecular formula C12H16F3NS and a molecular weight of 263.33 g/mol. Its IUPAC name is 1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine.

Molecular Properties

Compound Name1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
PubChem CID116627210
Molecular FormulaC12H16F3NS
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
SMILESNC(CCCCSC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H16F3NS/c13-12(14,15)17-9-5-4-8-11(16)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9,16H2
InChIKeyOZYNWTSXHNAGPT-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116628129
N-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116627244
chloromethane;1-phenyltridecan-1-amine
CID 175245788
1-phenyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine
CID 115520442
1-phenylhexan-1-amine;hydrochloride
CID 3033249
1-phenyldecan-1-amine
CID 43175860
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
1-phenyl-3-phenylsulfanylpropan-1-amine
CID 132891646
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
1,13-bis(tritylsulfanyl)tridecan-7-amine
CID 138687409
(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171226808

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine?
The IUPAC name of 1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine (CID 116627210) is 1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine.
What is the SMILES notation for 1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine?
The canonical SMILES for 1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine is NC(CCCCSC(F)(F)F)c1ccccc1.
What is the InChIKey of 1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine?
The InChIKey is OZYNWTSXHNAGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NS/c13-12(14,15)17-9-5-4-8-11(16)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9,16H2.
What are the key properties of 1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine?
1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine has a molecular weight of 263.33 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine is sourced from PubChem (CID 116627210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).