2-N,2-N'-dicyclohexyl-1-fluoropropane-2,2-diamine

C15H29FN2 — CID 166070163

IUPAC2-N,2-N'-dicyclohexyl-1-fluoropropane-2,2-diamine
SMILESCC(CF)(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C15H29FN2/c1-15(12-16,17-13-8-4-2-5-9-13)18-14-10-6-3-7-11-14/h13-14,17-18H,2-12H2,1H3
InChIKeyGHCWYIYCUAVXGZ-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.52
Rot. Bonds5

About 2-N,2-N'-dicyclohexyl-1-fluoropropane-2,2-diamine

2-N,2-N'-dicyclohexyl-1-fluoropropane-2,2-diamine (PubChem CID 166070163) has the molecular formula C15H29FN2 and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-N,2-N'-dicyclohexyl-1-fluoropropane-2,2-diamine.

Molecular Properties

Compound Name2-N,2-N'-dicyclohexyl-1-fluoropropane-2,2-diamine
PubChem CID166070163
Molecular FormulaC15H29FN2
Molecular Weight256.41 g/mol
Exact Mass256.23
IUPAC Name2-N,2-N'-dicyclohexyl-1-fluoropropane-2,2-diamine
SMILESCC(CF)(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C15H29FN2/c1-15(12-16,17-13-8-4-2-5-9-13)18-14-10-6-3-7-11-14/h13-14,17-18H,2-12H2,1H3
InChIKeyGHCWYIYCUAVXGZ-UHFFFAOYSA-N
XLogP3.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N'-dicyclohexyl-1-fluoropropane-2,2-diamine?
The IUPAC name of 2-N,2-N'-dicyclohexyl-1-fluoropropane-2,2-diamine (CID 166070163) is 2-N,2-N'-dicyclohexyl-1-fluoropropane-2,2-diamine.
What is the SMILES notation for 2-N,2-N'-dicyclohexyl-1-fluoropropane-2,2-diamine?
The canonical SMILES for 2-N,2-N'-dicyclohexyl-1-fluoropropane-2,2-diamine is CC(CF)(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 2-N,2-N'-dicyclohexyl-1-fluoropropane-2,2-diamine?
The InChIKey is GHCWYIYCUAVXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2/c1-15(12-16,17-13-8-4-2-5-9-13)18-14-10-6-3-7-11-14/h13-14,17-18H,2-12H2,1H3.
What are the key properties of 2-N,2-N'-dicyclohexyl-1-fluoropropane-2,2-diamine?
2-N,2-N'-dicyclohexyl-1-fluoropropane-2,2-diamine has a molecular weight of 256.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N'-dicyclohexyl-1-fluoropropane-2,2-diamine is sourced from PubChem (CID 166070163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).