(6R)-6-(aminomethyl)-4,5-difluorocyclohexa-2,4-dien-1-ol

C7H9F2NO — CID 154990201

IUPAC(6R)-6-(aminomethyl)-4,5-difluorocyclohexa-2,4-dien-1-ol
SMILESNC[C@H]1C(F)=C(F)C=CC1O
InChIInChI=1S/C7H9F2NO/c8-5-1-2-6(11)4(3-10)7(5)9/h1-2,4,6,11H,3,10H2/t4-,6?/m1/s1
InChIKeyDFPUDEJPZXQYFE-NJXYFUOMSA-N
MW161.15 g/mol
LogP0.64
Rot. Bonds1

About (6R)-6-(aminomethyl)-4,5-difluorocyclohexa-2,4-dien-1-ol

(6R)-6-(aminomethyl)-4,5-difluorocyclohexa-2,4-dien-1-ol (PubChem CID 154990201) has the molecular formula C7H9F2NO and a molecular weight of 161.15 g/mol. Its IUPAC name is (6R)-6-(aminomethyl)-4,5-difluorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(6R)-6-(aminomethyl)-4,5-difluorocyclohexa-2,4-dien-1-ol
PubChem CID154990201
Molecular FormulaC7H9F2NO
Molecular Weight161.15 g/mol
Exact Mass161.07
IUPAC Name(6R)-6-(aminomethyl)-4,5-difluorocyclohexa-2,4-dien-1-ol
SMILESNC[C@H]1C(F)=C(F)C=CC1O
InChIInChI=1S/C7H9F2NO/c8-5-1-2-6(11)4(3-10)7(5)9/h1-2,4,6,11H,3,10H2/t4-,6?/m1/s1
InChIKeyDFPUDEJPZXQYFE-NJXYFUOMSA-N
XLogP0.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.15
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(aminomethyl)-4,5-difluorocyclohexa-2,4-dien-1-ol?
The IUPAC name of (6R)-6-(aminomethyl)-4,5-difluorocyclohexa-2,4-dien-1-ol (CID 154990201) is (6R)-6-(aminomethyl)-4,5-difluorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (6R)-6-(aminomethyl)-4,5-difluorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for (6R)-6-(aminomethyl)-4,5-difluorocyclohexa-2,4-dien-1-ol is NC[C@H]1C(F)=C(F)C=CC1O.
What is the InChIKey of (6R)-6-(aminomethyl)-4,5-difluorocyclohexa-2,4-dien-1-ol?
The InChIKey is DFPUDEJPZXQYFE-NJXYFUOMSA-N. The full InChI is InChI=1S/C7H9F2NO/c8-5-1-2-6(11)4(3-10)7(5)9/h1-2,4,6,11H,3,10H2/t4-,6?/m1/s1.
What are the key properties of (6R)-6-(aminomethyl)-4,5-difluorocyclohexa-2,4-dien-1-ol?
(6R)-6-(aminomethyl)-4,5-difluorocyclohexa-2,4-dien-1-ol has a molecular weight of 161.15 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(aminomethyl)-4,5-difluorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 154990201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).