6-fluoro-N,1-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

C9H11F4N — CID 162587705

IUPAC6-fluoro-N,1-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESCNC1(C)C=CC(C(F)(F)F)=CC1F
InChIInChI=1S/C9H11F4N/c1-8(14-2)4-3-6(5-7(8)10)9(11,12)13/h3-5,7,14H,1-2H3
InChIKeyBNNMMDDSUWIMEP-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.36
Rot. Bonds1

About 6-fluoro-N,1-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

6-fluoro-N,1-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 162587705) has the molecular formula C9H11F4N and a molecular weight of 209.19 g/mol. Its IUPAC name is 6-fluoro-N,1-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-fluoro-N,1-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
PubChem CID162587705
Molecular FormulaC9H11F4N
Molecular Weight209.19 g/mol
Exact Mass209.08
IUPAC Name6-fluoro-N,1-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESCNC1(C)C=CC(C(F)(F)F)=CC1F
InChIInChI=1S/C9H11F4N/c1-8(14-2)4-3-6(5-7(8)10)9(11,12)13/h3-5,7,14H,1-2H3
InChIKeyBNNMMDDSUWIMEP-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,1-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-fluoro-N,1-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (CID 162587705) is 6-fluoro-N,1-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-fluoro-N,1-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-fluoro-N,1-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is CNC1(C)C=CC(C(F)(F)F)=CC1F.
What is the InChIKey of 6-fluoro-N,1-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is BNNMMDDSUWIMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4N/c1-8(14-2)4-3-6(5-7(8)10)9(11,12)13/h3-5,7,14H,1-2H3.
What are the key properties of 6-fluoro-N,1-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
6-fluoro-N,1-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 209.19 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,1-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 162587705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).