6-[N-methyl-2-(trifluoromethyl)anilino]hexan-1-ol

C14H20F3NO — CID 70247676

IUPAC6-[N-methyl-2-(trifluoromethyl)anilino]hexan-1-ol
SMILESCN(CCCCCCO)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-18(10-6-2-3-7-11-19)13-9-5-4-8-12(13)14(15,16)17/h4-5,8-9,19H,2-3,6-7,10-11H2,1H3
InChIKeyPJRVQQWIXADVGA-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.69
Rot. Bonds7

About 6-[N-methyl-2-(trifluoromethyl)anilino]hexan-1-ol

6-[N-methyl-2-(trifluoromethyl)anilino]hexan-1-ol (PubChem CID 70247676) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-[N-methyl-2-(trifluoromethyl)anilino]hexan-1-ol.

Molecular Properties

Compound Name6-[N-methyl-2-(trifluoromethyl)anilino]hexan-1-ol
PubChem CID70247676
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name6-[N-methyl-2-(trifluoromethyl)anilino]hexan-1-ol
SMILESCN(CCCCCCO)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-18(10-6-2-3-7-11-19)13-9-5-4-8-12(13)14(15,16)17/h4-5,8-9,19H,2-3,6-7,10-11H2,1H3
InChIKeyPJRVQQWIXADVGA-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[N-methyl-2-(trifluoromethyl)anilino]hexan-1-ol?
The IUPAC name of 6-[N-methyl-2-(trifluoromethyl)anilino]hexan-1-ol (CID 70247676) is 6-[N-methyl-2-(trifluoromethyl)anilino]hexan-1-ol.
What is the SMILES notation for 6-[N-methyl-2-(trifluoromethyl)anilino]hexan-1-ol?
The canonical SMILES for 6-[N-methyl-2-(trifluoromethyl)anilino]hexan-1-ol is CN(CCCCCCO)c1ccccc1C(F)(F)F.
What is the InChIKey of 6-[N-methyl-2-(trifluoromethyl)anilino]hexan-1-ol?
The InChIKey is PJRVQQWIXADVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-18(10-6-2-3-7-11-19)13-9-5-4-8-12(13)14(15,16)17/h4-5,8-9,19H,2-3,6-7,10-11H2,1H3.
What are the key properties of 6-[N-methyl-2-(trifluoromethyl)anilino]hexan-1-ol?
6-[N-methyl-2-(trifluoromethyl)anilino]hexan-1-ol has a molecular weight of 275.31 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[N-methyl-2-(trifluoromethyl)anilino]hexan-1-ol is sourced from PubChem (CID 70247676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).