3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine

C7H9F2NO — CID 166815040

IUPAC3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine
SMILESNC1=CC(OC(F)F)CC=C1
InChIInChI=1S/C7H9F2NO/c8-7(9)11-6-3-1-2-5(10)4-6/h1-2,4,6-7H,3,10H2
InChIKeyPVQFBFAXKMMUJI-UHFFFAOYSA-N
MW161.15 g/mol
LogP1.40
Rot. Bonds2

About 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine

3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine (PubChem CID 166815040) has the molecular formula C7H9F2NO and a molecular weight of 161.15 g/mol. Its IUPAC name is 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine
PubChem CID166815040
Molecular FormulaC7H9F2NO
Molecular Weight161.15 g/mol
Exact Mass161.07
IUPAC Name3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine
SMILESNC1=CC(OC(F)F)CC=C1
InChIInChI=1S/C7H9F2NO/c8-7(9)11-6-3-1-2-5(10)4-6/h1-2,4,6-7H,3,10H2
InChIKeyPVQFBFAXKMMUJI-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.15
LogP ≤ 51.40
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
3-(2-Fluoroethylidene)-4-methoxycyclohexa-1,5-dien-1-amine
CID 141316299
5-Fluoro-5-methoxycyclohexa-1,3-dien-1-amine
CID 141434364
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
3-(Difluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 163539633

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine (CID 166815040) is 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine is NC1=CC(OC(F)F)CC=C1.
What is the InChIKey of 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine?
The InChIKey is PVQFBFAXKMMUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO/c8-7(9)11-6-3-1-2-5(10)4-6/h1-2,4,6-7H,3,10H2.
What are the key properties of 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine?
3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine has a molecular weight of 161.15 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 166815040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).