(E)-4-(3-fluoroanilino)but-2-en-1-ol

C10H12FNO — CID 115015864

IUPAC(E)-4-(3-fluoroanilino)but-2-en-1-ol
SMILESOC/C=C/CNc1cccc(F)c1
InChIInChI=1S/C10H12FNO/c11-9-4-3-5-10(8-9)12-6-1-2-7-13/h1-5,8,12-13H,6-7H2/b2-1+
InChIKeyNQDQICGUMJJQLO-OWOJBTEDSA-N
MW181.21 g/mol
LogP1.79
Rot. Bonds4

About (E)-4-(3-fluoroanilino)but-2-en-1-ol

(E)-4-(3-fluoroanilino)but-2-en-1-ol (PubChem CID 115015864) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (E)-4-(3-fluoroanilino)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(3-fluoroanilino)but-2-en-1-ol
PubChem CID115015864
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(E)-4-(3-fluoroanilino)but-2-en-1-ol
SMILESOC/C=C/CNc1cccc(F)c1
InChIInChI=1S/C10H12FNO/c11-9-4-3-5-10(8-9)12-6-1-2-7-13/h1-5,8,12-13H,6-7H2/b2-1+
InChIKeyNQDQICGUMJJQLO-OWOJBTEDSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-fluorophenyl)-N-phenylmethanediamine
CID 141068458
N-(2,2-difluoroethyl)-3-fluoroaniline
CID 60922269
2-[(3-fluoroanilino)methyl]phenol
CID 27267422
(Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine
CID 117265824
N-(4-ethylphenyl)-N'-(3-fluorophenyl)propanediamide
CID 108954059
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline
CID 105488137
N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline
CID 79710160
1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol
CID 82045084
2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid
CID 115461455
3-fluoro-N-methylaniline
CID 2759011
3-fluoro-N-pent-3-ynylaniline
CID 104744056
1-(3-fluoroanilino)-3-methoxypropan-2-ol
CID 63928582

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-fluoroanilino)but-2-en-1-ol?
The IUPAC name of (E)-4-(3-fluoroanilino)but-2-en-1-ol (CID 115015864) is (E)-4-(3-fluoroanilino)but-2-en-1-ol.
What is the SMILES notation for (E)-4-(3-fluoroanilino)but-2-en-1-ol?
The canonical SMILES for (E)-4-(3-fluoroanilino)but-2-en-1-ol is OC/C=C/CNc1cccc(F)c1.
What is the InChIKey of (E)-4-(3-fluoroanilino)but-2-en-1-ol?
The InChIKey is NQDQICGUMJJQLO-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H12FNO/c11-9-4-3-5-10(8-9)12-6-1-2-7-13/h1-5,8,12-13H,6-7H2/b2-1+.
What are the key properties of (E)-4-(3-fluoroanilino)but-2-en-1-ol?
(E)-4-(3-fluoroanilino)but-2-en-1-ol has a molecular weight of 181.21 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-fluoroanilino)but-2-en-1-ol is sourced from PubChem (CID 115015864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).