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

C12H16F3NS — CID 116628129

IUPAC2-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
SMILESNCC(CCCSC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H16F3NS/c13-12(14,15)17-8-4-7-11(9-16)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,16H2
InChIKeyCZYOOSONLRWMFL-UHFFFAOYSA-N
MW263.33 g/mol
LogP3.76
Rot. Bonds6

About 2-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine

2-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine (PubChem CID 116628129) has the molecular formula C12H16F3NS and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine.

Molecular Properties

Compound Name2-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
PubChem CID116628129
Molecular FormulaC12H16F3NS
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name2-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
SMILESNCC(CCCSC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H16F3NS/c13-12(14,15)17-8-4-7-11(9-16)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,16H2
InChIKeyCZYOOSONLRWMFL-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
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

1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116627210
2-phenylpentane-1,5-diamine
CID 22770284
2-(3-bromophenyl)-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617877
2-phenylbutane-1,4-diamine
CID 16770348
2-phenylundecan-1-amine
CID 57256894
2-phenylpentan-1-amine
CID 14321247
N-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116627244
6-phenoxy-2-phenylhexan-1-amine
CID 79015445
(2R)-2,4-diphenylbutan-1-amine
CID 10998696
2-phenyldec-9-en-1-amine
CID 107010668
2-phenyl-N'-(2,2,3,3-tetrafluoropropyl)propane-1,3-diamine
CID 114169597
5-ethyl-2-phenylheptan-1-amine
CID 82935011

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine?
The IUPAC name of 2-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine (CID 116628129) is 2-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine.
What is the SMILES notation for 2-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine?
The canonical SMILES for 2-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine is NCC(CCCSC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine?
The InChIKey is CZYOOSONLRWMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NS/c13-12(14,15)17-8-4-7-11(9-16)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,16H2.
What are the key properties of 2-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine?
2-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine has a molecular weight of 263.33 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine is sourced from PubChem (CID 116628129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).