[3,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine

C10H14F3N — CID 149349702

IUPAC[3,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine
SMILESCC1=CC(C(F)(F)F)C(C)C(CN)=C1
InChIInChI=1S/C10H14F3N/c1-6-3-8(5-14)7(2)9(4-6)10(11,12)13/h3-4,7,9H,5,14H2,1-2H3
InChIKeyYFTSZDDXRIRBRV-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.65
Rot. Bonds1

About [3,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine

[3,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine (PubChem CID 149349702) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is [3,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine.

Molecular Properties

Compound Name[3,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine
PubChem CID149349702
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name[3,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine
SMILESCC1=CC(C(F)(F)F)C(C)C(CN)=C1
InChIInChI=1S/C10H14F3N/c1-6-3-8(5-14)7(2)9(4-6)10(11,12)13/h3-4,7,9H,5,14H2,1-2H3
InChIKeyYFTSZDDXRIRBRV-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine?
The IUPAC name of [3,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine (CID 149349702) is [3,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine.
What is the SMILES notation for [3,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine?
The canonical SMILES for [3,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine is CC1=CC(C(F)(F)F)C(C)C(CN)=C1.
What is the InChIKey of [3,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine?
The InChIKey is YFTSZDDXRIRBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c1-6-3-8(5-14)7(2)9(4-6)10(11,12)13/h3-4,7,9H,5,14H2,1-2H3.
What are the key properties of [3,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine?
[3,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine has a molecular weight of 205.22 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine is sourced from PubChem (CID 149349702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).