2-fluoro-5-methoxycyclohexa-1,5-dien-1-amine

C7H10FNO — CID 145165386

IUPAC2-fluoro-5-methoxycyclohexa-1,5-dien-1-amine
SMILESCOC1=CC(N)=C(F)CC1
InChIInChI=1S/C7H10FNO/c1-10-5-2-3-6(8)7(9)4-5/h4H,2-3,9H2,1H3
InChIKeyTXAJZTBNVVACLO-UHFFFAOYSA-N
MW143.16 g/mol
LogP1.45
Rot. Bonds1

About 2-fluoro-5-methoxycyclohexa-1,5-dien-1-amine

2-fluoro-5-methoxycyclohexa-1,5-dien-1-amine (PubChem CID 145165386) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is 2-fluoro-5-methoxycyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-fluoro-5-methoxycyclohexa-1,5-dien-1-amine
PubChem CID145165386
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name2-fluoro-5-methoxycyclohexa-1,5-dien-1-amine
SMILESCOC1=CC(N)=C(F)CC1
InChIInChI=1S/C7H10FNO/c1-10-5-2-3-6(8)7(9)4-5/h4H,2-3,9H2,1H3
InChIKeyTXAJZTBNVVACLO-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

2-Cyclohexa-1,3-dien-1-yloxy-5-fluorocyclohexa-1,5-dien-1-amine
CID 59660255
2-Amino-4-fluorocyclohexa-1,3-dien-1-ol
CID 88978454
5-Methoxy-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 89035045
5-Fluoro-4-methoxycyclohexa-1,3-dien-1-amine
CID 89154149
4-Fluoro-5-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine
CID 89214936
5-(Trifluoromethoxy)cyclohexa-1,5-dien-1-amine
CID 89260719
4-Fluoro-2-methoxycyclohexa-1,3-dien-1-amine
CID 130436235
2-fluoro-5-methoxy-N-methylcyclohexa-1,5-dien-1-amine
CID 134365756
(3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine
CID 138711458
3-Fluoro-4-methoxycyclohexa-1,3-dien-1-amine
CID 143206355
1-Fluoro-5-methoxycyclohexa-2,4-dien-1-amine
CID 152035060
4-(Difluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 153629789

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxycyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-fluoro-5-methoxycyclohexa-1,5-dien-1-amine (CID 145165386) is 2-fluoro-5-methoxycyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-fluoro-5-methoxycyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-fluoro-5-methoxycyclohexa-1,5-dien-1-amine is COC1=CC(N)=C(F)CC1.
What is the InChIKey of 2-fluoro-5-methoxycyclohexa-1,5-dien-1-amine?
The InChIKey is TXAJZTBNVVACLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c1-10-5-2-3-6(8)7(9)4-5/h4H,2-3,9H2,1H3.
What are the key properties of 2-fluoro-5-methoxycyclohexa-1,5-dien-1-amine?
2-fluoro-5-methoxycyclohexa-1,5-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 2-fluoro-5-methoxycyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 145165386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).