(E)-1-amino-4-(2-fluorophenyl)but-3-en-2-ol

C10H12FNO — CID 131233116

IUPAC(E)-1-amino-4-(2-fluorophenyl)but-3-en-2-ol
SMILESNCC(O)/C=C/c1ccccc1F
InChIInChI=1S/C10H12FNO/c11-10-4-2-1-3-8(10)5-6-9(13)7-12/h1-6,9,13H,7,12H2/b6-5+
InChIKeyBMMSZSVCBFIRMJ-AATRIKPKSA-N
MW181.21 g/mol
LogP1.16
Rot. Bonds3

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

(E)-1-amino-4-(2-fluorophenyl)but-3-en-2-ol (PubChem CID 131233116) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (E)-1-amino-4-(2-fluorophenyl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-amino-4-(2-fluorophenyl)but-3-en-2-ol
PubChem CID131233116
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(E)-1-amino-4-(2-fluorophenyl)but-3-en-2-ol
SMILESNCC(O)/C=C/c1ccccc1F
InChIInChI=1S/C10H12FNO/c11-10-4-2-1-3-8(10)5-6-9(13)7-12/h1-6,9,13H,7,12H2/b6-5+
InChIKeyBMMSZSVCBFIRMJ-AATRIKPKSA-N
XLogP1.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Amino-1-(2-fluorophenyl)ethan-1-ol
CID 15067176
(E,2S,3R)-2-amino-5-phenylpent-4-ene-1,3-diol
CID 10583933
1-Amino-4-phenylbut-3-en-2-ol
CID 13462670
1-Penten-3-ol, 4-amino-1-phenyl-, (1E,3R,4S)-
CID 5459034
1-Amino-3-(2-fluorophenyl)propan-2-ol
CID 64982726
1-Amino-3-(3-fluorophenyl)propan-2-ol
CID 65986568
(1s)-2-Amino-1-(4-Fluorophenyl)ethanol
CID 38989029
(R)-2-Amino-1-(4-fluorophenyl)ethanol
CID 38989031
(E,2S,3S)-2-amino-5-phenylpent-4-ene-1,3-diol
CID 10655413

Frequently Asked Questions

What is the IUPAC name of (E)-1-amino-4-(2-fluorophenyl)but-3-en-2-ol?
The IUPAC name of (E)-1-amino-4-(2-fluorophenyl)but-3-en-2-ol (CID 131233116) is (E)-1-amino-4-(2-fluorophenyl)but-3-en-2-ol.
What is the SMILES notation for (E)-1-amino-4-(2-fluorophenyl)but-3-en-2-ol?
The canonical SMILES for (E)-1-amino-4-(2-fluorophenyl)but-3-en-2-ol is NCC(O)/C=C/c1ccccc1F.
What is the InChIKey of (E)-1-amino-4-(2-fluorophenyl)but-3-en-2-ol?
The InChIKey is BMMSZSVCBFIRMJ-AATRIKPKSA-N. The full InChI is InChI=1S/C10H12FNO/c11-10-4-2-1-3-8(10)5-6-9(13)7-12/h1-6,9,13H,7,12H2/b6-5+.
What are the key properties of (E)-1-amino-4-(2-fluorophenyl)but-3-en-2-ol?
(E)-1-amino-4-(2-fluorophenyl)but-3-en-2-ol has a molecular weight of 181.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-amino-4-(2-fluorophenyl)but-3-en-2-ol is sourced from PubChem (CID 131233116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).