ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

C14H26F3N — CID 144539787

IUPACethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCC.CC.CCN(C)C1=CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3N.2C2H6/c1-3-14(2)9-6-4-8(5-7-9)10(11,12)13;2*1-2/h4,6H,3,5,7H2,1-2H3;2*1-2H3
InChIKeyPHWYEUQIGBILNY-UHFFFAOYSA-N
MW265.36 g/mol
LogP5.16
Rot. Bonds2

About ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 144539787) has the molecular formula C14H26F3N and a molecular weight of 265.36 g/mol. Its IUPAC name is ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
PubChem CID144539787
Molecular FormulaC14H26F3N
Molecular Weight265.36 g/mol
Exact Mass265.20
IUPAC Nameethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCC.CC.CCN(C)C1=CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3N.2C2H6/c1-3-14(2)9-6-4-8(5-7-9)10(11,12)13;2*1-2/h4,6H,3,5,7H2,1-2H3;2*1-2H3
InChIKeyPHWYEUQIGBILNY-UHFFFAOYSA-N
XLogP5.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.36
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (CID 144539787) is ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is CC.CC.CCN(C)C1=CC=C(C(F)(F)F)CC1.
What is the InChIKey of ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is PHWYEUQIGBILNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N.2C2H6/c1-3-14(2)9-6-4-8(5-7-9)10(11,12)13;2*1-2/h4,6H,3,5,7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 265.36 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 144539787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).