5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine

C11H15F2N — CID 130321083

IUPAC5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine
SMILESC=CNC1=CCC(CC)C(C(F)F)=C1
InChIInChI=1S/C11H15F2N/c1-3-8-5-6-9(14-4-2)7-10(8)11(12)13/h4,6-8,11,14H,2-3,5H2,1H3
InChIKeyTZGZMKUVZKUKCC-UHFFFAOYSA-N
MW199.24 g/mol
LogP3.22
Rot. Bonds4

About 5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine

5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine (PubChem CID 130321083) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine
PubChem CID130321083
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine
SMILESC=CNC1=CCC(CC)C(C(F)F)=C1
InChIInChI=1S/C11H15F2N/c1-3-8-5-6-9(14-4-2)7-10(8)11(12)13/h4,6-8,11,14H,2-3,5H2,1H3
InChIKeyTZGZMKUVZKUKCC-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-2-methylidene-3-(trifluoromethyl)-1H-pyridine
CID 89639552
1-(Difluoromethyl)-2-methylidene-5-propan-2-ylpyridine
CID 117878111
N-ethyl-3,5-difluoro-4-methylcyclohexa-1,5-dien-1-amine
CID 118618028
4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine
CID 118657074
2-Methyl-4-(trifluoromethyl)-1,2-dihydropyridine
CID 129054060
(Z)-1-(4-aminocyclohexa-2,4-dien-1-yl)-5,5-difluoro-2-N-methylhex-2-ene-2,4-diamine
CID 130179797
4-Methyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-dihydropyridine
CID 132263779
2-Fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine
CID 134243659
(Z)-N-[(3E,5Z)-4-(1,1-difluoroethyl)hepta-1,3,5-trien-2-yl]-3-[(Z)-prop-1-enyl]-4-propylhept-2-en-1-amine
CID 134293638
(2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine
CID 134533169
2,2-diethyl-5-fluoro-1H-pyridine
CID 138478316
5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine
CID 138525147

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine (CID 130321083) is 5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine is C=CNC1=CCC(CC)C(C(F)F)=C1.
What is the InChIKey of 5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine?
The InChIKey is TZGZMKUVZKUKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-3-8-5-6-9(14-4-2)7-10(8)11(12)13/h4,6-8,11,14H,2-3,5H2,1H3.
What are the key properties of 5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine?
5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine has a molecular weight of 199.24 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 130321083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).