(6-amino-2-fluoro-1-methylcyclohexa-2,4-dien-1-yl)methanol

C8H12FNO — CID 163695030

IUPAC(6-amino-2-fluoro-1-methylcyclohexa-2,4-dien-1-yl)methanol
SMILESCC1(CO)C(F)=CC=CC1N
InChIInChI=1S/C8H12FNO/c1-8(5-11)6(9)3-2-4-7(8)10/h2-4,7,11H,5,10H2,1H3
InChIKeyJWFWXWVKECNFFA-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.74
Rot. Bonds1

About (6-amino-2-fluoro-1-methylcyclohexa-2,4-dien-1-yl)methanol

(6-amino-2-fluoro-1-methylcyclohexa-2,4-dien-1-yl)methanol (PubChem CID 163695030) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is (6-amino-2-fluoro-1-methylcyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(6-amino-2-fluoro-1-methylcyclohexa-2,4-dien-1-yl)methanol
PubChem CID163695030
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(6-amino-2-fluoro-1-methylcyclohexa-2,4-dien-1-yl)methanol
SMILESCC1(CO)C(F)=CC=CC1N
InChIInChI=1S/C8H12FNO/c1-8(5-11)6(9)3-2-4-7(8)10/h2-4,7,11H,5,10H2,1H3
InChIKeyJWFWXWVKECNFFA-UHFFFAOYSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6-Amino-3-fluorocyclohexa-2,4-dien-1-yl)methanol
CID 132264477
(2S)-2-amino-2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol
CID 144266272
(3E,5E)-2-amino-6-(2-fluoropropan-2-yl)-3-methylocta-3,5,7-trien-1-ol
CID 145012073
2-Amino-2-(3-methylcyclohexa-1,5-dien-1-yl)ethanol
CID 68098762
2-(6-Amino-1-methylcyclohexa-2,4-dien-1-yl)ethanol
CID 70183220
[1-(Aminomethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 70629366
(2S)-2-amino-2-(3-methylcyclohexa-1,5-dien-1-yl)ethanol
CID 118478786
(6-Amino-2-methylcyclohexa-2,4-dien-1-yl)methanol
CID 132264489
[(6S)-6-amino-2-methylcyclohexa-2,4-dien-1-yl]methanol
CID 134550730
[6-Amino-1-(dihydroxymethyl)cyclohexa-2,4-dien-1-yl]methanediol
CID 141232826
2-(4-Aminocyclohexa-1,5-dien-1-yl)ethanol
CID 142136887
(6-Amino-3-chloro-1-methylcyclohexa-2,4-dien-1-yl)methanol
CID 163911436

Frequently Asked Questions

What is the IUPAC name of (6-amino-2-fluoro-1-methylcyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (6-amino-2-fluoro-1-methylcyclohexa-2,4-dien-1-yl)methanol (CID 163695030) is (6-amino-2-fluoro-1-methylcyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (6-amino-2-fluoro-1-methylcyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (6-amino-2-fluoro-1-methylcyclohexa-2,4-dien-1-yl)methanol is CC1(CO)C(F)=CC=CC1N.
What is the InChIKey of (6-amino-2-fluoro-1-methylcyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is JWFWXWVKECNFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c1-8(5-11)6(9)3-2-4-7(8)10/h2-4,7,11H,5,10H2,1H3.
What are the key properties of (6-amino-2-fluoro-1-methylcyclohexa-2,4-dien-1-yl)methanol?
(6-amino-2-fluoro-1-methylcyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 157.19 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-fluoro-1-methylcyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 163695030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).