1-[4-(2-fluoroethylsulfanyl)phenyl]cyclopropan-1-amine

C11H14FNS — CID 84781881

IUPAC1-[4-(2-fluoroethylsulfanyl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(SCCF)cc2)CC1
InChIInChI=1S/C11H14FNS/c12-7-8-14-10-3-1-9(2-4-10)11(13)5-6-11/h1-4H,5-8,13H2
InChIKeyVNSCAAWQLLGFRF-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.70
Rot. Bonds4

About 1-[4-(2-fluoroethylsulfanyl)phenyl]cyclopropan-1-amine

1-[4-(2-fluoroethylsulfanyl)phenyl]cyclopropan-1-amine (PubChem CID 84781881) has the molecular formula C11H14FNS and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[4-(2-fluoroethylsulfanyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(2-fluoroethylsulfanyl)phenyl]cyclopropan-1-amine
PubChem CID84781881
Molecular FormulaC11H14FNS
Molecular Weight211.31 g/mol
Exact Mass211.08
IUPAC Name1-[4-(2-fluoroethylsulfanyl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(SCCF)cc2)CC1
InChIInChI=1S/C11H14FNS/c12-7-8-14-10-3-1-9(2-4-10)11(13)5-6-11/h1-4H,5-8,13H2
InChIKeyVNSCAAWQLLGFRF-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoroethylsulfanyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(2-fluoroethylsulfanyl)phenyl]cyclopropan-1-amine (CID 84781881) is 1-[4-(2-fluoroethylsulfanyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(2-fluoroethylsulfanyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(2-fluoroethylsulfanyl)phenyl]cyclopropan-1-amine is NC1(c2ccc(SCCF)cc2)CC1.
What is the InChIKey of 1-[4-(2-fluoroethylsulfanyl)phenyl]cyclopropan-1-amine?
The InChIKey is VNSCAAWQLLGFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNS/c12-7-8-14-10-3-1-9(2-4-10)11(13)5-6-11/h1-4H,5-8,13H2.
What are the key properties of 1-[4-(2-fluoroethylsulfanyl)phenyl]cyclopropan-1-amine?
1-[4-(2-fluoroethylsulfanyl)phenyl]cyclopropan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroethylsulfanyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 84781881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).