(1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine

C8H8F4N2 — CID 66516916

IUPAC(1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine
SMILESNC[C@@H](N)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C8H8F4N2/c9-4-1-3(5(14)2-13)6(10)8(12)7(4)11/h1,5H,2,13-14H2/t5-/m1/s1
InChIKeySZVMJFSKZZPGEU-RXMQYKEDSA-N
MW208.16 g/mol
LogP1.20
Rot. Bonds2

About (1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine

(1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine (PubChem CID 66516916) has the molecular formula C8H8F4N2 and a molecular weight of 208.16 g/mol. Its IUPAC name is (1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine
PubChem CID66516916
Molecular FormulaC8H8F4N2
Molecular Weight208.16 g/mol
Exact Mass208.06
IUPAC Name(1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine
SMILESNC[C@@H](N)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C8H8F4N2/c9-4-1-3(5(14)2-13)6(10)8(12)7(4)11/h1,5H,2,13-14H2/t5-/m1/s1
InChIKeySZVMJFSKZZPGEU-RXMQYKEDSA-N
XLogP1.20
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol
CID 18627999
1-(3,4,5-trifluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 71758657
1-(3,5-dichloro-2-fluorophenyl)ethane-1,2-diamine
CID 77131124
(1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine
CID 131029109
(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 130731681
1-(2,3,5-trifluorophenyl)propane-1,3-diamine
CID 130900225
(1S)-1-(4-amino-2-fluorophenyl)ethane-1,2-diamine
CID 55275012
(1S)-1-(2-amino-3,5,6-trifluorophenyl)ethane-1,2-diamine
CID 66517130
1-(4-ethoxy-3,5-difluoro-2-methylphenyl)ethane-1,2-diamine
CID 66518126
(1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine
CID 130737703
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
(1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171222464

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine?
The IUPAC name of (1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine (CID 66516916) is (1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine?
The canonical SMILES for (1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine is NC[C@@H](N)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of (1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine?
The InChIKey is SZVMJFSKZZPGEU-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8F4N2/c9-4-1-3(5(14)2-13)6(10)8(12)7(4)11/h1,5H,2,13-14H2/t5-/m1/s1.
What are the key properties of (1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine?
(1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine has a molecular weight of 208.16 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 66516916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).