N-ethyl-3,4-difluorocyclohexa-2,4-dien-1-amine

C8H11F2N — CID 90048424

IUPACN-ethyl-3,4-difluorocyclohexa-2,4-dien-1-amine
SMILESCCNC1C=C(F)C(F)=CC1
InChIInChI=1S/C8H11F2N/c1-2-11-6-3-4-7(9)8(10)5-6/h4-6,11H,2-3H2,1H3
InChIKeyVGDPVVMOYODCOM-UHFFFAOYSA-N
MW159.18 g/mol
LogP2.08
Rot. Bonds2

About N-ethyl-3,4-difluorocyclohexa-2,4-dien-1-amine

N-ethyl-3,4-difluorocyclohexa-2,4-dien-1-amine (PubChem CID 90048424) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is N-ethyl-3,4-difluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-3,4-difluorocyclohexa-2,4-dien-1-amine
PubChem CID90048424
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN-ethyl-3,4-difluorocyclohexa-2,4-dien-1-amine
SMILESCCNC1C=C(F)C(F)=CC1
InChIInChI=1S/C8H11F2N/c1-2-11-6-3-4-7(9)8(10)5-6/h4-6,11H,2-3H2,1H3
InChIKeyVGDPVVMOYODCOM-UHFFFAOYSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-difluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of N-ethyl-3,4-difluorocyclohexa-2,4-dien-1-amine (CID 90048424) is N-ethyl-3,4-difluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-ethyl-3,4-difluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-ethyl-3,4-difluorocyclohexa-2,4-dien-1-amine is CCNC1C=C(F)C(F)=CC1.
What is the InChIKey of N-ethyl-3,4-difluorocyclohexa-2,4-dien-1-amine?
The InChIKey is VGDPVVMOYODCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N/c1-2-11-6-3-4-7(9)8(10)5-6/h4-6,11H,2-3H2,1H3.
What are the key properties of N-ethyl-3,4-difluorocyclohexa-2,4-dien-1-amine?
N-ethyl-3,4-difluorocyclohexa-2,4-dien-1-amine has a molecular weight of 159.18 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-difluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 90048424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).