1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol

C16H19ClFNOS — CID 82793341

IUPAC1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol
SMILESNCC(c1cccc(Cl)c1F)C(O)CCCc1cccs1
InChIInChI=1S/C16H19ClFNOS/c17-14-7-2-6-12(16(14)18)13(10-19)15(20)8-1-4-11-5-3-9-21-11/h2-3,5-7,9,13,15,20H,1,4,8,10,19H2
InChIKeyFGCTUYHRSVSFJR-UHFFFAOYSA-N
MW327.85 g/mol
LogP3.97
Rot. Bonds7

About 1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol

1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol (PubChem CID 82793341) has the molecular formula C16H19ClFNOS and a molecular weight of 327.85 g/mol. Its IUPAC name is 1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol.

Molecular Properties

Compound Name1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol
PubChem CID82793341
Molecular FormulaC16H19ClFNOS
Molecular Weight327.85 g/mol
Exact Mass327.09
IUPAC Name1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol
SMILESNCC(c1cccc(Cl)c1F)C(O)CCCc1cccs1
InChIInChI=1S/C16H19ClFNOS/c17-14-7-2-6-12(16(14)18)13(10-19)15(20)8-1-4-11-5-3-9-21-11/h2-3,5-7,9,13,15,20H,1,4,8,10,19H2
InChIKeyFGCTUYHRSVSFJR-UHFFFAOYSA-N
XLogP3.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.85
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 102867600
1-(3-chloro-2-fluorophenyl)-2-thiophen-2-ylethanol
CID 64713103
1-(3-chloro-2-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 114487837
1-amino-2-(3-bromophenyl)-6-thiophen-2-ylhexan-3-ol
CID 65188291
1-(3-chloro-2-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 114487950
1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228
3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)propan-1-ol
CID 82808604
1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol
CID 65185856
1-amino-2-(2-chlorophenyl)-6-phenylhexan-3-ol
CID 65184766
2-methyl-6-thiophen-2-ylhexan-3-ol
CID 63774630
1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105178908
3-amino-1-(2-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)propan-1-ol
CID 82792768

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol?
The IUPAC name of 1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol (CID 82793341) is 1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol.
What is the SMILES notation for 1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol?
The canonical SMILES for 1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol is NCC(c1cccc(Cl)c1F)C(O)CCCc1cccs1.
What is the InChIKey of 1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol?
The InChIKey is FGCTUYHRSVSFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNOS/c17-14-7-2-6-12(16(14)18)13(10-19)15(20)8-1-4-11-5-3-9-21-11/h2-3,5-7,9,13,15,20H,1,4,8,10,19H2.
What are the key properties of 1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol?
1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol has a molecular weight of 327.85 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol is sourced from PubChem (CID 82793341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).