4-fluoro-4-[(trifluoromethylamino)methyl]cyclohexan-1-amine

C8H14F4N2 — CID 105467383

IUPAC4-fluoro-4-[(trifluoromethylamino)methyl]cyclohexan-1-amine
SMILESNC1CCC(F)(CNC(F)(F)F)CC1
InChIInChI=1S/C8H14F4N2/c9-7(5-14-8(10,11)12)3-1-6(13)2-4-7/h6,14H,1-5,13H2
InChIKeyVNASPSXKRJOYNW-UHFFFAOYSA-N
MW214.21 g/mol
LogP1.71
Rot. Bonds2

About 4-fluoro-4-[(trifluoromethylamino)methyl]cyclohexan-1-amine

4-fluoro-4-[(trifluoromethylamino)methyl]cyclohexan-1-amine (PubChem CID 105467383) has the molecular formula C8H14F4N2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 4-fluoro-4-[(trifluoromethylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-[(trifluoromethylamino)methyl]cyclohexan-1-amine
PubChem CID105467383
Molecular FormulaC8H14F4N2
Molecular Weight214.21 g/mol
Exact Mass214.11
IUPAC Name4-fluoro-4-[(trifluoromethylamino)methyl]cyclohexan-1-amine
SMILESNC1CCC(F)(CNC(F)(F)F)CC1
InChIInChI=1S/C8H14F4N2/c9-7(5-14-8(10,11)12)3-1-6(13)2-4-7/h6,14H,1-5,13H2
InChIKeyVNASPSXKRJOYNW-UHFFFAOYSA-N
XLogP1.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[(trifluoromethylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-[(trifluoromethylamino)methyl]cyclohexan-1-amine (CID 105467383) is 4-fluoro-4-[(trifluoromethylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-[(trifluoromethylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-[(trifluoromethylamino)methyl]cyclohexan-1-amine is NC1CCC(F)(CNC(F)(F)F)CC1.
What is the InChIKey of 4-fluoro-4-[(trifluoromethylamino)methyl]cyclohexan-1-amine?
The InChIKey is VNASPSXKRJOYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4N2/c9-7(5-14-8(10,11)12)3-1-6(13)2-4-7/h6,14H,1-5,13H2.
What are the key properties of 4-fluoro-4-[(trifluoromethylamino)methyl]cyclohexan-1-amine?
4-fluoro-4-[(trifluoromethylamino)methyl]cyclohexan-1-amine has a molecular weight of 214.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[(trifluoromethylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 105467383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).