N-(difluoromethyl)-N-hexylhexan-1-amine

C13H27F2N — CID 18323272

IUPACN-(difluoromethyl)-N-hexylhexan-1-amine
SMILESCCCCCCN(CCCCCC)C(F)F
InChIInChI=1S/C13H27F2N/c1-3-5-7-9-11-16(13(14)15)12-10-8-6-4-2/h13H,3-12H2,1-2H3
InChIKeyCOUAFDGTABCWKD-UHFFFAOYSA-N
MW235.36 g/mol
LogP4.67
Rot. Bonds11

About N-(difluoromethyl)-N-hexylhexan-1-amine

N-(difluoromethyl)-N-hexylhexan-1-amine (PubChem CID 18323272) has the molecular formula C13H27F2N and a molecular weight of 235.36 g/mol. Its IUPAC name is N-(difluoromethyl)-N-hexylhexan-1-amine.

Molecular Properties

Compound NameN-(difluoromethyl)-N-hexylhexan-1-amine
PubChem CID18323272
Molecular FormulaC13H27F2N
Molecular Weight235.36 g/mol
Exact Mass235.21
IUPAC NameN-(difluoromethyl)-N-hexylhexan-1-amine
SMILESCCCCCCN(CCCCCC)C(F)F
InChIInChI=1S/C13H27F2N/c1-3-5-7-9-11-16(13(14)15)12-10-8-6-4-2/h13H,3-12H2,1-2H3
InChIKeyCOUAFDGTABCWKD-UHFFFAOYSA-N
XLogP4.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-N-hexylhexan-1-amine?
The IUPAC name of N-(difluoromethyl)-N-hexylhexan-1-amine (CID 18323272) is N-(difluoromethyl)-N-hexylhexan-1-amine.
What is the SMILES notation for N-(difluoromethyl)-N-hexylhexan-1-amine?
The canonical SMILES for N-(difluoromethyl)-N-hexylhexan-1-amine is CCCCCCN(CCCCCC)C(F)F.
What is the InChIKey of N-(difluoromethyl)-N-hexylhexan-1-amine?
The InChIKey is COUAFDGTABCWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F2N/c1-3-5-7-9-11-16(13(14)15)12-10-8-6-4-2/h13H,3-12H2,1-2H3.
What are the key properties of N-(difluoromethyl)-N-hexylhexan-1-amine?
N-(difluoromethyl)-N-hexylhexan-1-amine has a molecular weight of 235.36 g/mol, XLogP of 4.67, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-hexylhexan-1-amine is sourced from PubChem (CID 18323272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).