2,2-bis(4-fluorophenyl)-5-methylhexane-1,5-diamine

C19H24F2N2 — CID 57012501

IUPAC2,2-bis(4-fluorophenyl)-5-methylhexane-1,5-diamine
SMILESCC(C)(N)CCC(CN)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H24F2N2/c1-18(2,23)11-12-19(13-22,14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10H,11-13,22-23H2,1-2H3
InChIKeyCZWPALDERQISKX-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.73
Rot. Bonds6

About 2,2-bis(4-fluorophenyl)-5-methylhexane-1,5-diamine

2,2-bis(4-fluorophenyl)-5-methylhexane-1,5-diamine (PubChem CID 57012501) has the molecular formula C19H24F2N2 and a molecular weight of 318.41 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)-5-methylhexane-1,5-diamine.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-5-methylhexane-1,5-diamine
PubChem CID57012501
Molecular FormulaC19H24F2N2
Molecular Weight318.41 g/mol
Exact Mass318.19
IUPAC Name2,2-bis(4-fluorophenyl)-5-methylhexane-1,5-diamine
SMILESCC(C)(N)CCC(CN)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H24F2N2/c1-18(2,23)11-12-19(13-22,14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10H,11-13,22-23H2,1-2H3
InChIKeyCZWPALDERQISKX-UHFFFAOYSA-N
XLogP3.73
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)-5-methylhexane-1,5-diamine?
The IUPAC name of 2,2-bis(4-fluorophenyl)-5-methylhexane-1,5-diamine (CID 57012501) is 2,2-bis(4-fluorophenyl)-5-methylhexane-1,5-diamine.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-5-methylhexane-1,5-diamine?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-5-methylhexane-1,5-diamine is CC(C)(N)CCC(CN)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2,2-bis(4-fluorophenyl)-5-methylhexane-1,5-diamine?
The InChIKey is CZWPALDERQISKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2/c1-18(2,23)11-12-19(13-22,14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10H,11-13,22-23H2,1-2H3.
What are the key properties of 2,2-bis(4-fluorophenyl)-5-methylhexane-1,5-diamine?
2,2-bis(4-fluorophenyl)-5-methylhexane-1,5-diamine has a molecular weight of 318.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-fluorophenyl)-5-methylhexane-1,5-diamine is sourced from PubChem (CID 57012501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).