2-[1-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]cyclopropyl]ethanamine

C13H16F3NOS — CID 115478188

IUPAC2-[1-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]cyclopropyl]ethanamine
SMILESNCCC1(CS(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H16F3NOS/c14-13(15,16)10-2-1-3-11(8-10)19(18)9-12(4-5-12)6-7-17/h1-3,8H,4-7,9,17H2
InChIKeySKEICCBNMFLTCZ-UHFFFAOYSA-N
MW291.34 g/mol
LogP2.94
Rot. Bonds5

About 2-[1-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]cyclopropyl]ethanamine

2-[1-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]cyclopropyl]ethanamine (PubChem CID 115478188) has the molecular formula C13H16F3NOS and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-[1-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]cyclopropyl]ethanamine
PubChem CID115478188
Molecular FormulaC13H16F3NOS
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC Name2-[1-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]cyclopropyl]ethanamine
SMILESNCCC1(CS(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H16F3NOS/c14-13(15,16)10-2-1-3-11(8-10)19(18)9-12(4-5-12)6-7-17/h1-3,8H,4-7,9,17H2
InChIKeySKEICCBNMFLTCZ-UHFFFAOYSA-N
XLogP2.94
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3,4-dichlorophenyl)sulfinylmethyl]cyclopropyl]ethanamine
CID 81332824
[4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine
CID 115478175
3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine
CID 103372598
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide
CID 114758864
3-[3-(trifluoromethyl)phenyl]sulfinylbutan-1-amine
CID 115478174
1-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]pyrrolidine
CID 21391063
CID 53444038
CID 53444038
3-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]aniline
CID 115981205
3-bromo-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]aniline
CID 115478029
1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine
CID 115478107
6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine
CID 106808069
2-methyl-N-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]propan-2-amine
CID 115478052

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]cyclopropyl]ethanamine?
The IUPAC name of 2-[1-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]cyclopropyl]ethanamine (CID 115478188) is 2-[1-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]cyclopropyl]ethanamine is NCCC1(CS(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-[1-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]cyclopropyl]ethanamine?
The InChIKey is SKEICCBNMFLTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NOS/c14-13(15,16)10-2-1-3-11(8-10)19(18)9-12(4-5-12)6-7-17/h1-3,8H,4-7,9,17H2.
What are the key properties of 2-[1-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]cyclopropyl]ethanamine?
2-[1-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]cyclopropyl]ethanamine has a molecular weight of 291.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]cyclopropyl]ethanamine is sourced from PubChem (CID 115478188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).