4-(difluoromethoxy)-2-fluorocyclohexa-1,5-dien-1-amine

C7H8F3NO — CID 162552914

IUPAC4-(difluoromethoxy)-2-fluorocyclohexa-1,5-dien-1-amine
SMILESNC1=C(F)CC(OC(F)F)C=C1
InChIInChI=1S/C7H8F3NO/c8-5-3-4(12-7(9)10)1-2-6(5)11/h1-2,4,7H,3,11H2
InChIKeyUWNWIAONJPCSEA-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.69
Rot. Bonds2

About 4-(difluoromethoxy)-2-fluorocyclohexa-1,5-dien-1-amine

4-(difluoromethoxy)-2-fluorocyclohexa-1,5-dien-1-amine (PubChem CID 162552914) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-fluorocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-fluorocyclohexa-1,5-dien-1-amine
PubChem CID162552914
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name4-(difluoromethoxy)-2-fluorocyclohexa-1,5-dien-1-amine
SMILESNC1=C(F)CC(OC(F)F)C=C1
InChIInChI=1S/C7H8F3NO/c8-5-3-4(12-7(9)10)1-2-6(5)11/h1-2,4,7H,3,11H2
InChIKeyUWNWIAONJPCSEA-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethoxy-4-fluorocyclohexa-1,5-dien-1-amine
CID 69280368
5-Fluoro-4-methoxycyclohexa-1,5-dien-1-amine
CID 89073888
6-(Trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 123991293
3-(2-Fluoroethylidene)-4-methoxycyclohexa-1,5-dien-1-amine
CID 141316299
1-(Trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 141516833
[3-Methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]azanium
CID 142974481
4-Fluoro-5-methoxycyclohexa-1,3-dien-1-amine
CID 148333945
4-Fluoro-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine
CID 151082150
4-Fluoro-4-methoxycyclohexa-1,5-dien-1-amine
CID 153835839
(2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine
CID 155470395
1,3-Difluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-amine
CID 163387766
4-(2,2,3,3-Tetrafluoropropoxy)cyclohexa-1,5-dien-1-amine
CID 164016935

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-fluorocyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-(difluoromethoxy)-2-fluorocyclohexa-1,5-dien-1-amine (CID 162552914) is 4-(difluoromethoxy)-2-fluorocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-(difluoromethoxy)-2-fluorocyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-(difluoromethoxy)-2-fluorocyclohexa-1,5-dien-1-amine is NC1=C(F)CC(OC(F)F)C=C1.
What is the InChIKey of 4-(difluoromethoxy)-2-fluorocyclohexa-1,5-dien-1-amine?
The InChIKey is UWNWIAONJPCSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c8-5-3-4(12-7(9)10)1-2-6(5)11/h1-2,4,7H,3,11H2.
What are the key properties of 4-(difluoromethoxy)-2-fluorocyclohexa-1,5-dien-1-amine?
4-(difluoromethoxy)-2-fluorocyclohexa-1,5-dien-1-amine has a molecular weight of 179.14 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-fluorocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 162552914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).