1-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]pyrrolidine

C14H18F3NOS — CID 21391063

IUPAC1-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]pyrrolidine
SMILESO=S(CCCN1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NOS/c15-14(16,17)12-5-3-6-13(11-12)20(19)10-4-9-18-7-1-2-8-18/h3,5-6,11H,1-2,4,7-10H2
InChIKeyOCUCINHEPIXEKA-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.30
Rot. Bonds5

About 1-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]pyrrolidine

1-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]pyrrolidine (PubChem CID 21391063) has the molecular formula C14H18F3NOS and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]pyrrolidine
PubChem CID21391063
Molecular FormulaC14H18F3NOS
Molecular Weight305.36 g/mol
Exact Mass305.11
IUPAC Name1-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]pyrrolidine
SMILESO=S(CCCN1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NOS/c15-14(16,17)12-5-3-6-13(11-12)20(19)10-4-9-18-7-1-2-8-18/h3,5-6,11H,1-2,4,7-10H2
InChIKeyOCUCINHEPIXEKA-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]propan-2-amine
CID 115478052
6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine
CID 106808069
[4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine
CID 115478175
N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline
CID 54807271
1-[2-(benzenesulfinyl)ethyl]azepane;hydrochloride
CID 3053263
CID 53444038
CID 53444038
2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide
CID 122150328
oxalic acid;1-[2-[3-(trifluoromethyl)phenoxy]ethyl]azepane
CID 2944187
2-[1-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]cyclopropyl]ethanamine
CID 115478188
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
CID 71757707
3-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]aniline
CID 115981205
3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine
CID 103372598

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]pyrrolidine?
The IUPAC name of 1-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]pyrrolidine (CID 21391063) is 1-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]pyrrolidine.
What is the SMILES notation for 1-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]pyrrolidine?
The canonical SMILES for 1-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]pyrrolidine is O=S(CCCN1CCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]pyrrolidine?
The InChIKey is OCUCINHEPIXEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NOS/c15-14(16,17)12-5-3-6-13(11-12)20(19)10-4-9-18-7-1-2-8-18/h3,5-6,11H,1-2,4,7-10H2.
What are the key properties of 1-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]pyrrolidine?
1-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]pyrrolidine has a molecular weight of 305.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]pyrrolidine is sourced from PubChem (CID 21391063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).