N-(cyclohexylideneamino)-2,2-difluoroethanamine

C8H14F2N2 — CID 126996512

IUPACN-(cyclohexylideneamino)-2,2-difluoroethanamine
SMILESFC(F)CNN=C1CCCCC1
InChIInChI=1S/C8H14F2N2/c9-8(10)6-11-12-7-4-2-1-3-5-7/h8,11H,1-6H2
InChIKeyNUHYJMPDWYHJLT-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.16
Rot. Bonds3

About N-(cyclohexylideneamino)-2,2-difluoroethanamine

N-(cyclohexylideneamino)-2,2-difluoroethanamine (PubChem CID 126996512) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-2,2-difluoroethanamine
PubChem CID126996512
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC NameN-(cyclohexylideneamino)-2,2-difluoroethanamine
SMILESFC(F)CNN=C1CCCCC1
InChIInChI=1S/C8H14F2N2/c9-8(10)6-11-12-7-4-2-1-3-5-7/h8,11H,1-6H2
InChIKeyNUHYJMPDWYHJLT-UHFFFAOYSA-N
XLogP2.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cycloheptylideneamino)-2,2-difluoroethanamine
CID 130649638
N-(cyclohexylideneamino)ethanamine
CID 67668072

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-2,2-difluoroethanamine?
The IUPAC name of N-(cyclohexylideneamino)-2,2-difluoroethanamine (CID 126996512) is N-(cyclohexylideneamino)-2,2-difluoroethanamine.
What is the SMILES notation for N-(cyclohexylideneamino)-2,2-difluoroethanamine?
The canonical SMILES for N-(cyclohexylideneamino)-2,2-difluoroethanamine is FC(F)CNN=C1CCCCC1.
What is the InChIKey of N-(cyclohexylideneamino)-2,2-difluoroethanamine?
The InChIKey is NUHYJMPDWYHJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c9-8(10)6-11-12-7-4-2-1-3-5-7/h8,11H,1-6H2.
What are the key properties of N-(cyclohexylideneamino)-2,2-difluoroethanamine?
N-(cyclohexylideneamino)-2,2-difluoroethanamine has a molecular weight of 176.21 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-2,2-difluoroethanamine is sourced from PubChem (CID 126996512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).