1-N-(2-fluorophenyl)cyclohexane-1,3-diamine

C12H17FN2 — CID 79458440

IUPAC1-N-(2-fluorophenyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(Nc2ccccc2F)C1
InChIInChI=1S/C12H17FN2/c13-11-6-1-2-7-12(11)15-10-5-3-4-9(14)8-10/h1-2,6-7,9-10,15H,3-5,8,14H2
InChIKeyUZOLQCTYSDQLNV-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.51
Rot. Bonds2

About 1-N-(2-fluorophenyl)cyclohexane-1,3-diamine

1-N-(2-fluorophenyl)cyclohexane-1,3-diamine (PubChem CID 79458440) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-N-(2-fluorophenyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-fluorophenyl)cyclohexane-1,3-diamine
PubChem CID79458440
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-N-(2-fluorophenyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(Nc2ccccc2F)C1
InChIInChI=1S/C12H17FN2/c13-11-6-1-2-7-12(11)15-10-5-3-4-9(14)8-10/h1-2,6-7,9-10,15H,3-5,8,14H2
InChIKeyUZOLQCTYSDQLNV-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-fluorophenyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(2-fluorophenyl)cyclohexane-1,3-diamine (CID 79458440) is 1-N-(2-fluorophenyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(2-fluorophenyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(2-fluorophenyl)cyclohexane-1,3-diamine is NC1CCCC(Nc2ccccc2F)C1.
What is the InChIKey of 1-N-(2-fluorophenyl)cyclohexane-1,3-diamine?
The InChIKey is UZOLQCTYSDQLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c13-11-6-1-2-7-12(11)15-10-5-3-4-9(14)8-10/h1-2,6-7,9-10,15H,3-5,8,14H2.
What are the key properties of 1-N-(2-fluorophenyl)cyclohexane-1,3-diamine?
1-N-(2-fluorophenyl)cyclohexane-1,3-diamine has a molecular weight of 208.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-fluorophenyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79458440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).