(3-amino-4-fluorophenyl)-methoxymethanol

C8H10FNO2 — CID 123185481

IUPAC(3-amino-4-fluorophenyl)-methoxymethanol
SMILESCOC(O)c1ccc(F)c(N)c1
InChIInChI=1S/C8H10FNO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,8,11H,10H2,1H3
InChIKeyHTQDPZFHHCZBBN-UHFFFAOYSA-N
MW171.17 g/mol
LogP1.05
Rot. Bonds2

About (3-amino-4-fluorophenyl)-methoxymethanol

(3-amino-4-fluorophenyl)-methoxymethanol (PubChem CID 123185481) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is (3-amino-4-fluorophenyl)-methoxymethanol.

Molecular Properties

Compound Name(3-amino-4-fluorophenyl)-methoxymethanol
PubChem CID123185481
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name(3-amino-4-fluorophenyl)-methoxymethanol
SMILESCOC(O)c1ccc(F)c(N)c1
InChIInChI=1S/C8H10FNO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,8,11H,10H2,1H3
InChIKeyHTQDPZFHHCZBBN-UHFFFAOYSA-N
XLogP1.05
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(3-amino-4-fluorophenyl)ethanol
CID 70331602
(3-chloro-4-fluorophenyl)-methoxymethanol
CID 175241908
(4-fluoro-3-nitrophenyl)-methoxymethanol
CID 174484275
(1S,2S)-2-amino-1-(3-amino-4-fluorophenyl)butan-1-ol
CID 131049371
5-(1-amino-2-methylpropyl)-2-fluoroaniline
CID 55283419
(2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol
CID 66513607
3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867878
1-(3-amino-4-fluorophenyl)butane-1,2,4-triol
CID 171872014
[3-amino-4-(4-methoxyanilino)phenyl]-methoxymethanol
CID 166842125
(3-amino-4-fluorophenyl)-(2-methoxynaphthalen-1-yl)methanol
CID 118356144
2-(3-amino-4-fluorophenyl)-2-chloroethanethioic S-acid
CID 21276588
(1S)-1-(3,4-difluorophenyl)-2,2-dimethoxyethanol
CID 97030750

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-fluorophenyl)-methoxymethanol?
The IUPAC name of (3-amino-4-fluorophenyl)-methoxymethanol (CID 123185481) is (3-amino-4-fluorophenyl)-methoxymethanol.
What is the SMILES notation for (3-amino-4-fluorophenyl)-methoxymethanol?
The canonical SMILES for (3-amino-4-fluorophenyl)-methoxymethanol is COC(O)c1ccc(F)c(N)c1.
What is the InChIKey of (3-amino-4-fluorophenyl)-methoxymethanol?
The InChIKey is HTQDPZFHHCZBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,8,11H,10H2,1H3.
What are the key properties of (3-amino-4-fluorophenyl)-methoxymethanol?
(3-amino-4-fluorophenyl)-methoxymethanol has a molecular weight of 171.17 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-fluorophenyl)-methoxymethanol is sourced from PubChem (CID 123185481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).