(2,6-dichloro-3-fluorophenyl)-(methylamino)methanol

C8H8Cl2FNO — CID 134268841

IUPAC(2,6-dichloro-3-fluorophenyl)-(methylamino)methanol
SMILESCNC(O)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C8H8Cl2FNO/c1-12-8(13)6-4(9)2-3-5(11)7(6)10/h2-3,8,12-13H,1H3
InChIKeyBLDPMOCZNVCSSC-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.34
Rot. Bonds2

About (2,6-dichloro-3-fluorophenyl)-(methylamino)methanol

(2,6-dichloro-3-fluorophenyl)-(methylamino)methanol (PubChem CID 134268841) has the molecular formula C8H8Cl2FNO and a molecular weight of 224.06 g/mol. Its IUPAC name is (2,6-dichloro-3-fluorophenyl)-(methylamino)methanol.

Molecular Properties

Compound Name(2,6-dichloro-3-fluorophenyl)-(methylamino)methanol
PubChem CID134268841
Molecular FormulaC8H8Cl2FNO
Molecular Weight224.06 g/mol
Exact Mass223.00
IUPAC Name(2,6-dichloro-3-fluorophenyl)-(methylamino)methanol
SMILESCNC(O)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C8H8Cl2FNO/c1-12-8(13)6-4(9)2-3-5(11)7(6)10/h2-3,8,12-13H,1H3
InChIKeyBLDPMOCZNVCSSC-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S,2R)-1-amino-1-(2,6-dichloro-3-fluorophenyl)propan-2-ol
CID 130618254
2-(1-bromoethyl)-1,3-dichloro-4-fluorobenzene
CID 54578784
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide
CID 43545191
(2S)-1-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol
CID 122131753
2,6-dichloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenol
CID 107679459
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid
CID 43545181
3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline
CID 43545046
1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785778
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567768
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]but-3-yn-2-amine
CID 114415090
4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline
CID 43716586
1-(2,6-dichloro-3-fluorophenyl)ethyl acetate;ethane
CID 143190128

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-3-fluorophenyl)-(methylamino)methanol?
The IUPAC name of (2,6-dichloro-3-fluorophenyl)-(methylamino)methanol (CID 134268841) is (2,6-dichloro-3-fluorophenyl)-(methylamino)methanol.
What is the SMILES notation for (2,6-dichloro-3-fluorophenyl)-(methylamino)methanol?
The canonical SMILES for (2,6-dichloro-3-fluorophenyl)-(methylamino)methanol is CNC(O)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of (2,6-dichloro-3-fluorophenyl)-(methylamino)methanol?
The InChIKey is BLDPMOCZNVCSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2FNO/c1-12-8(13)6-4(9)2-3-5(11)7(6)10/h2-3,8,12-13H,1H3.
What are the key properties of (2,6-dichloro-3-fluorophenyl)-(methylamino)methanol?
(2,6-dichloro-3-fluorophenyl)-(methylamino)methanol has a molecular weight of 224.06 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-3-fluorophenyl)-(methylamino)methanol is sourced from PubChem (CID 134268841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).