4-fluoro-2-methoxycyclohexa-1,3-dien-1-amine

C7H10FNO — CID 130436235

IUPAC4-fluoro-2-methoxycyclohexa-1,3-dien-1-amine
SMILESCOC1=C(N)CCC(F)=C1
InChIInChI=1S/C7H10FNO/c1-10-7-4-5(8)2-3-6(7)9/h4H,2-3,9H2,1H3
InChIKeyHIQTVGMSZLAQJT-UHFFFAOYSA-N
MW143.16 g/mol
LogP1.45
Rot. Bonds1

About 4-fluoro-2-methoxycyclohexa-1,3-dien-1-amine

4-fluoro-2-methoxycyclohexa-1,3-dien-1-amine (PubChem CID 130436235) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is 4-fluoro-2-methoxycyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-fluoro-2-methoxycyclohexa-1,3-dien-1-amine
PubChem CID130436235
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name4-fluoro-2-methoxycyclohexa-1,3-dien-1-amine
SMILESCOC1=C(N)CCC(F)=C1
InChIInChI=1S/C7H10FNO/c1-10-7-4-5(8)2-3-6(7)9/h4H,2-3,9H2,1H3
InChIKeyHIQTVGMSZLAQJT-UHFFFAOYSA-N
XLogP1.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Difluoro-4-methoxycyclohexa-2,4-dien-1-amine
CID 68984069
5-Fluoro-4-methoxycyclohexa-1,3-dien-1-amine
CID 89154149
(3E)-2-fluoro-5-methoxyhexa-3,5-dien-3-amine
CID 139473198
5-Fluoro-5-methoxycyclohexa-1,3-dien-1-amine
CID 141434364
2-(Trifluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 143073553
3-Fluoro-4-methoxycyclohexa-1,3-dien-1-amine
CID 143206355
2-Fluoro-5-methoxycyclohexa-1,5-dien-1-amine
CID 145165386
4-Fluoro-5-methoxycyclohexa-1,3-dien-1-amine
CID 148333945
4-Fluoro-4-methoxycyclohexa-1,5-dien-1-amine
CID 153835839
3-(Difluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 163539633
2-Fluoro-3-methoxycyclohexa-1,3-dien-1-amine
CID 173111203
3-Fluoro-3-methoxycyclohexa-1,5-dien-1-amine
CID 177946792

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxycyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-fluoro-2-methoxycyclohexa-1,3-dien-1-amine (CID 130436235) is 4-fluoro-2-methoxycyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-fluoro-2-methoxycyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-fluoro-2-methoxycyclohexa-1,3-dien-1-amine is COC1=C(N)CCC(F)=C1.
What is the InChIKey of 4-fluoro-2-methoxycyclohexa-1,3-dien-1-amine?
The InChIKey is HIQTVGMSZLAQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c1-10-7-4-5(8)2-3-6(7)9/h4H,2-3,9H2,1H3.
What are the key properties of 4-fluoro-2-methoxycyclohexa-1,3-dien-1-amine?
4-fluoro-2-methoxycyclohexa-1,3-dien-1-amine has a molecular weight of 143.16 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxycyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 130436235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).