2-(4-fluorophenyl)sulfanylcyclohexan-1-amine

C12H16FNS — CID 64620702

IUPAC2-(4-fluorophenyl)sulfanylcyclohexan-1-amine
SMILESNC1CCCCC1Sc1ccc(F)cc1
InChIInChI=1S/C12H16FNS/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,11-12H,1-4,14H2
InChIKeyZRWDTLNIHRSSHA-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.19
Rot. Bonds2

About 2-(4-fluorophenyl)sulfanylcyclohexan-1-amine

2-(4-fluorophenyl)sulfanylcyclohexan-1-amine (PubChem CID 64620702) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanylcyclohexan-1-amine
PubChem CID64620702
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name2-(4-fluorophenyl)sulfanylcyclohexan-1-amine
SMILESNC1CCCCC1Sc1ccc(F)cc1
InChIInChI=1S/C12H16FNS/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,11-12H,1-4,14H2
InChIKeyZRWDTLNIHRSSHA-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanylcyclohexan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)sulfanylcyclohexan-1-amine (CID 64620702) is 2-(4-fluorophenyl)sulfanylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanylcyclohexan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanylcyclohexan-1-amine is NC1CCCCC1Sc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanylcyclohexan-1-amine?
The InChIKey is ZRWDTLNIHRSSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,11-12H,1-4,14H2.
What are the key properties of 2-(4-fluorophenyl)sulfanylcyclohexan-1-amine?
2-(4-fluorophenyl)sulfanylcyclohexan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanylcyclohexan-1-amine is sourced from PubChem (CID 64620702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).