(Z)-1-N-(4-fluoro-3-nitrophenyl)but-1-ene-1,2-diamine

C10H12FN3O2 — CID 143675954

IUPAC(Z)-1-N-(4-fluoro-3-nitrophenyl)but-1-ene-1,2-diamine
SMILESCC/C(N)=C/Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C10H12FN3O2/c1-2-7(12)6-13-8-3-4-9(11)10(5-8)14(15)16/h3-6,13H,2,12H2,1H3/b7-6-
InChIKeyCLRLKZSMDLEVSR-SREVYHEPSA-N
MW225.22 g/mol
LogP2.36
Rot. Bonds4

About (Z)-1-N-(4-fluoro-3-nitrophenyl)but-1-ene-1,2-diamine

(Z)-1-N-(4-fluoro-3-nitrophenyl)but-1-ene-1,2-diamine (PubChem CID 143675954) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is (Z)-1-N-(4-fluoro-3-nitrophenyl)but-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-(4-fluoro-3-nitrophenyl)but-1-ene-1,2-diamine
PubChem CID143675954
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name(Z)-1-N-(4-fluoro-3-nitrophenyl)but-1-ene-1,2-diamine
SMILESCC/C(N)=C/Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C10H12FN3O2/c1-2-7(12)6-13-8-3-4-9(11)10(5-8)14(15)16/h3-6,13H,2,12H2,1H3/b7-6-
InChIKeyCLRLKZSMDLEVSR-SREVYHEPSA-N
XLogP2.36
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-butan-2-yloxycarbonyl-3-(4-fluoro-3-nitroanilino)prop-2-enoic acid
CID 69210901
4-fluoro-N-methyl-3-nitroaniline
CID 63089505
4-fluoro-N-methoxy-3-nitroaniline
CID 154020303
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide
CID 875669
N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide
CID 1147566
2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide
CID 65225395
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
4-fluoro-3-nitroaniline;N-(4-fluoro-3-nitrophenyl)acetamide
CID 158096795
4-fluoro-N-(2-methylbutyl)-3-nitroaniline
CID 43719224
(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
CID 61145688
N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 43422996

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-(4-fluoro-3-nitrophenyl)but-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-(4-fluoro-3-nitrophenyl)but-1-ene-1,2-diamine (CID 143675954) is (Z)-1-N-(4-fluoro-3-nitrophenyl)but-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-(4-fluoro-3-nitrophenyl)but-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-(4-fluoro-3-nitrophenyl)but-1-ene-1,2-diamine is CC/C(N)=C/Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of (Z)-1-N-(4-fluoro-3-nitrophenyl)but-1-ene-1,2-diamine?
The InChIKey is CLRLKZSMDLEVSR-SREVYHEPSA-N. The full InChI is InChI=1S/C10H12FN3O2/c1-2-7(12)6-13-8-3-4-9(11)10(5-8)14(15)16/h3-6,13H,2,12H2,1H3/b7-6-.
What are the key properties of (Z)-1-N-(4-fluoro-3-nitrophenyl)but-1-ene-1,2-diamine?
(Z)-1-N-(4-fluoro-3-nitrophenyl)but-1-ene-1,2-diamine has a molecular weight of 225.22 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-(4-fluoro-3-nitrophenyl)but-1-ene-1,2-diamine is sourced from PubChem (CID 143675954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).