[2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol

C11H14FNOS — CID 82984157

IUPAC[2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol
SMILESNCC1(Sc2ccccc2F)CC1CO
InChIInChI=1S/C11H14FNOS/c12-9-3-1-2-4-10(9)15-11(7-13)5-8(11)6-14/h1-4,8,14H,5-7,13H2
InChIKeyMBNPQZNEBAVIQP-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.63
Rot. Bonds4

About [2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol

[2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol (PubChem CID 82984157) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is [2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol
PubChem CID82984157
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name[2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol
SMILESNCC1(Sc2ccccc2F)CC1CO
InChIInChI=1S/C11H14FNOS/c12-9-3-1-2-4-10(9)15-11(7-13)5-8(11)6-14/h1-4,8,14H,5-7,13H2
InChIKeyMBNPQZNEBAVIQP-UHFFFAOYSA-N
XLogP1.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol?
The IUPAC name of [2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol (CID 82984157) is [2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol.
What is the SMILES notation for [2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol?
The canonical SMILES for [2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol is NCC1(Sc2ccccc2F)CC1CO.
What is the InChIKey of [2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol?
The InChIKey is MBNPQZNEBAVIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c12-9-3-1-2-4-10(9)15-11(7-13)5-8(11)6-14/h1-4,8,14H,5-7,13H2.
What are the key properties of [2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol?
[2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol has a molecular weight of 227.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol is sourced from PubChem (CID 82984157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).