1-amino-3-(4-fluorophenyl)hex-5-en-3-ol

C12H16FNO — CID 58109746

IUPAC1-amino-3-(4-fluorophenyl)hex-5-en-3-ol
SMILESC=CCC(O)(CCN)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-2-7-12(15,8-9-14)10-3-5-11(13)6-4-10/h2-6,15H,1,7-9,14H2
InChIKeyGJRYSSRVJQQYHI-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.94
Rot. Bonds5

About 1-amino-3-(4-fluorophenyl)hex-5-en-3-ol

1-amino-3-(4-fluorophenyl)hex-5-en-3-ol (PubChem CID 58109746) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-amino-3-(4-fluorophenyl)hex-5-en-3-ol.

Molecular Properties

Compound Name1-amino-3-(4-fluorophenyl)hex-5-en-3-ol
PubChem CID58109746
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-amino-3-(4-fluorophenyl)hex-5-en-3-ol
SMILESC=CCC(O)(CCN)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-2-7-12(15,8-9-14)10-3-5-11(13)6-4-10/h2-6,15H,1,7-9,14H2
InChIKeyGJRYSSRVJQQYHI-UHFFFAOYSA-N
XLogP1.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.94
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

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CID 1000
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3-(4-Fluorophenyl)pyrrolidin-3-ol hydrochloride
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(R)-(-)-2-Amino-1-phenylethanol
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2-Amino-1-(4-fluorophenyl)ethan-1-ol
CID 9827
(1S)-2-amino-1-phenylethan-1-ol
CID 643217
4-Piperidinol, 4-(3-(trifluoromethyl)phenyl)-, hydrochloride (1:1)
CID 197746
(R)-(+)-2-Amino-3-methyl-1,1-diphenyl-1-butanol
CID 702733
1-Amino-2-phenylpropan-2-ol
CID 12362998
Phenylethanolaminium
CID 4745144
4-Amino-1-phenylcyclohexan-1-ol
CID 3039766

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-fluorophenyl)hex-5-en-3-ol?
The IUPAC name of 1-amino-3-(4-fluorophenyl)hex-5-en-3-ol (CID 58109746) is 1-amino-3-(4-fluorophenyl)hex-5-en-3-ol.
What is the SMILES notation for 1-amino-3-(4-fluorophenyl)hex-5-en-3-ol?
The canonical SMILES for 1-amino-3-(4-fluorophenyl)hex-5-en-3-ol is C=CCC(O)(CCN)c1ccc(F)cc1.
What is the InChIKey of 1-amino-3-(4-fluorophenyl)hex-5-en-3-ol?
The InChIKey is GJRYSSRVJQQYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-2-7-12(15,8-9-14)10-3-5-11(13)6-4-10/h2-6,15H,1,7-9,14H2.
What are the key properties of 1-amino-3-(4-fluorophenyl)hex-5-en-3-ol?
1-amino-3-(4-fluorophenyl)hex-5-en-3-ol has a molecular weight of 209.26 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-fluorophenyl)hex-5-en-3-ol is sourced from PubChem (CID 58109746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).