4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-amine

C10H14F3N — CID 70871186

IUPAC4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-amine
SMILESCC(C)(C1C=CC(N)=CC1)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-9(2,10(11,12)13)7-3-5-8(14)6-4-7/h3,5-7H,4,14H2,1-2H3
InChIKeyRSELKMLSJLDTKV-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.99
Rot. Bonds1

About 4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-amine

4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-amine (PubChem CID 70871186) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-amine
PubChem CID70871186
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-amine
SMILESCC(C)(C1C=CC(N)=CC1)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-9(2,10(11,12)13)7-3-5-8(14)6-4-7/h3,5-7H,4,14H2,1-2H3
InChIKeyRSELKMLSJLDTKV-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-amine (CID 70871186) is 4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-amine is CC(C)(C1C=CC(N)=CC1)C(F)(F)F.
What is the InChIKey of 4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-amine?
The InChIKey is RSELKMLSJLDTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c1-9(2,10(11,12)13)7-3-5-8(14)6-4-7/h3,5-7H,4,14H2,1-2H3.
What are the key properties of 4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-amine?
4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-amine has a molecular weight of 205.22 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 70871186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).