(1R)-1-(2,3,5,6-tetrafluoro-4-methoxyphenyl)ethane-1,2-diamine

C9H10F4N2O — CID 66517791

IUPAC(1R)-1-(2,3,5,6-tetrafluoro-4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1c(F)c(F)c([C@@H](N)CN)c(F)c1F
InChIInChI=1S/C9H10F4N2O/c1-16-9-7(12)5(10)4(3(15)2-14)6(11)8(9)13/h3H,2,14-15H2,1H3/t3-/m0/s1
InChIKeyIRZKOMBRRRYKRD-VKHMYHEASA-N
MW238.18 g/mol
LogP1.21
Rot. Bonds3

About (1R)-1-(2,3,5,6-tetrafluoro-4-methoxyphenyl)ethane-1,2-diamine

(1R)-1-(2,3,5,6-tetrafluoro-4-methoxyphenyl)ethane-1,2-diamine (PubChem CID 66517791) has the molecular formula C9H10F4N2O and a molecular weight of 238.18 g/mol. Its IUPAC name is (1R)-1-(2,3,5,6-tetrafluoro-4-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(2,3,5,6-tetrafluoro-4-methoxyphenyl)ethane-1,2-diamine
PubChem CID66517791
Molecular FormulaC9H10F4N2O
Molecular Weight238.18 g/mol
Exact Mass238.07
IUPAC Name(1R)-1-(2,3,5,6-tetrafluoro-4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1c(F)c(F)c([C@@H](N)CN)c(F)c1F
InChIInChI=1S/C9H10F4N2O/c1-16-9-7(12)5(10)4(3(15)2-14)6(11)8(9)13/h3H,2,14-15H2,1H3/t3-/m0/s1
InChIKeyIRZKOMBRRRYKRD-VKHMYHEASA-N
XLogP1.21
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2,3,5,6-tetrafluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 66517790
1-(1-bromoethyl)-2,3,5,6-tetrafluoro-4-methoxybenzene
CID 174395450
(2R,3S)-2-amino-3-hydroxy-3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)propanoic acid
CID 10016658
(1S)-3-fluoro-1-(2,3,4,5,6-pentafluorophenyl)propan-1-amine
CID 131454154
1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
CID 22756535
(1S)-1-(2,6-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201155
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
(1S)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171199595
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethanamine
CID 105007867
2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol
CID 66516800
2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290019

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3,5,6-tetrafluoro-4-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(2,3,5,6-tetrafluoro-4-methoxyphenyl)ethane-1,2-diamine (CID 66517791) is (1R)-1-(2,3,5,6-tetrafluoro-4-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(2,3,5,6-tetrafluoro-4-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(2,3,5,6-tetrafluoro-4-methoxyphenyl)ethane-1,2-diamine is COc1c(F)c(F)c([C@@H](N)CN)c(F)c1F.
What is the InChIKey of (1R)-1-(2,3,5,6-tetrafluoro-4-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is IRZKOMBRRRYKRD-VKHMYHEASA-N. The full InChI is InChI=1S/C9H10F4N2O/c1-16-9-7(12)5(10)4(3(15)2-14)6(11)8(9)13/h3H,2,14-15H2,1H3/t3-/m0/s1.
What are the key properties of (1R)-1-(2,3,5,6-tetrafluoro-4-methoxyphenyl)ethane-1,2-diamine?
(1R)-1-(2,3,5,6-tetrafluoro-4-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 238.18 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3,5,6-tetrafluoro-4-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 66517791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).