1-(3,4-difluorocyclohexa-2,4-dien-1-yl)ethanamine

C8H11F2N — CID 135190247

IUPAC1-(3,4-difluorocyclohexa-2,4-dien-1-yl)ethanamine
SMILESCC(N)C1C=C(F)C(F)=CC1
InChIInChI=1S/C8H11F2N/c1-5(11)6-2-3-7(9)8(10)4-6/h3-6H,2,11H2,1H3
InChIKeyZCNYCINZSQSBMN-UHFFFAOYSA-N
MW159.18 g/mol
LogP2.06
Rot. Bonds1

About 1-(3,4-difluorocyclohexa-2,4-dien-1-yl)ethanamine

1-(3,4-difluorocyclohexa-2,4-dien-1-yl)ethanamine (PubChem CID 135190247) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 1-(3,4-difluorocyclohexa-2,4-dien-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorocyclohexa-2,4-dien-1-yl)ethanamine
PubChem CID135190247
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name1-(3,4-difluorocyclohexa-2,4-dien-1-yl)ethanamine
SMILESCC(N)C1C=C(F)C(F)=CC1
InChIInChI=1S/C8H11F2N/c1-5(11)6-2-3-7(9)8(10)4-6/h3-6H,2,11H2,1H3
InChIKeyZCNYCINZSQSBMN-UHFFFAOYSA-N
XLogP2.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Fluoro-4-methyl-6-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 68028129
(1R)-1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 68097553
6-Fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 68854686
2-(6,6-Difluorocyclohexa-2,4-dien-1-yl)ethanamine
CID 69596702
1-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 77408480
2-[(4S)-4,5-difluorocyclohexa-1,5-dien-1-yl]cyclopropan-1-amine
CID 89298069
1-[(6R)-4-ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-yl]ethanamine
CID 89318310
[2-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 89671974
1-(3,4,5-Trifluorocyclohexa-2,4-dien-1-yl)butan-1-amine
CID 91359749
cis-(1R,2S)-2-(3,4-difluorocyclohexa-2,4-dien-1-yl)cyclopropan-1-amine
CID 118618036
(1S)-1-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]ethanamine
CID 122546328
trans-(1R,2S)-2-[(3E,5E)-4,5-difluorohepta-1,3,5-trien-2-yl]cyclopropan-1-amine
CID 132236142

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorocyclohexa-2,4-dien-1-yl)ethanamine?
The IUPAC name of 1-(3,4-difluorocyclohexa-2,4-dien-1-yl)ethanamine (CID 135190247) is 1-(3,4-difluorocyclohexa-2,4-dien-1-yl)ethanamine.
What is the SMILES notation for 1-(3,4-difluorocyclohexa-2,4-dien-1-yl)ethanamine?
The canonical SMILES for 1-(3,4-difluorocyclohexa-2,4-dien-1-yl)ethanamine is CC(N)C1C=C(F)C(F)=CC1.
What is the InChIKey of 1-(3,4-difluorocyclohexa-2,4-dien-1-yl)ethanamine?
The InChIKey is ZCNYCINZSQSBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N/c1-5(11)6-2-3-7(9)8(10)4-6/h3-6H,2,11H2,1H3.
What are the key properties of 1-(3,4-difluorocyclohexa-2,4-dien-1-yl)ethanamine?
1-(3,4-difluorocyclohexa-2,4-dien-1-yl)ethanamine has a molecular weight of 159.18 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorocyclohexa-2,4-dien-1-yl)ethanamine is sourced from PubChem (CID 135190247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).