4-amino-3-fluoro-5-methylcyclohexa-1,3-dien-1-ol

C7H10FNO — CID 143768450

IUPAC4-amino-3-fluoro-5-methylcyclohexa-1,3-dien-1-ol
SMILESCC1CC(O)=CC(F)=C1N
InChIInChI=1S/C7H10FNO/c1-4-2-5(10)3-6(8)7(4)9/h3-4,10H,2,9H2,1H3
InChIKeySMXMOLSCUGURIN-UHFFFAOYSA-N
MW143.16 g/mol
LogP1.61
Rot. Bonds

About 4-amino-3-fluoro-5-methylcyclohexa-1,3-dien-1-ol

4-amino-3-fluoro-5-methylcyclohexa-1,3-dien-1-ol (PubChem CID 143768450) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is 4-amino-3-fluoro-5-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-amino-3-fluoro-5-methylcyclohexa-1,3-dien-1-ol
PubChem CID143768450
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name4-amino-3-fluoro-5-methylcyclohexa-1,3-dien-1-ol
SMILESCC1CC(O)=CC(F)=C1N
InChIInChI=1S/C7H10FNO/c1-4-2-5(10)3-6(8)7(4)9/h3-4,10H,2,9H2,1H3
InChIKeySMXMOLSCUGURIN-UHFFFAOYSA-N
XLogP1.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-4-fluorocyclohexa-1,3-dien-1-ol
CID 88978454
4-Amino-6-fluorocyclohexa-1,3-dien-1-ol
CID 118297290
4-Amino-2-fluorocyclohexa-1,3-dien-1-ol
CID 144262840
4-Amino-3-fluorocyclohexa-1,3-dien-1-ol
CID 145611807
4-Aminocyclohexa-1,3-dien-1-ol
CID 20556824
4-Amino-2-methylcyclohexa-1,3-dien-1-ol
CID 89152195
4-Aminocyclohexa-1,3-dien-1-ol;ethane
CID 141769449
(4-Hydroxycyclohexa-1,3-dien-1-yl)azanium
CID 142986038
4-Amino-3-methylcyclohexa-1,3-dien-1-ol
CID 145060090
4-Amino-5-methylcyclohexa-1,3-dien-1-ol
CID 154542122
(6R)-4-amino-6-ethylcyclohexa-1,3-dien-1-ol
CID 155216895
4-Amino-2-fluorocyclohexa-1,3-dien-1-ol;ethane
CID 177004601

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-5-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-amino-3-fluoro-5-methylcyclohexa-1,3-dien-1-ol (CID 143768450) is 4-amino-3-fluoro-5-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-amino-3-fluoro-5-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-amino-3-fluoro-5-methylcyclohexa-1,3-dien-1-ol is CC1CC(O)=CC(F)=C1N.
What is the InChIKey of 4-amino-3-fluoro-5-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is SMXMOLSCUGURIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c1-4-2-5(10)3-6(8)7(4)9/h3-4,10H,2,9H2,1H3.
What are the key properties of 4-amino-3-fluoro-5-methylcyclohexa-1,3-dien-1-ol?
4-amino-3-fluoro-5-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 143.16 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-5-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 143768450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).