1-(3-chloro-2-fluorophenyl)-6,6,6-trifluorohexan-2-ol

C12H13ClF4O — CID 82805654

IUPAC1-(3-chloro-2-fluorophenyl)-6,6,6-trifluorohexan-2-ol
SMILESOC(CCCC(F)(F)F)Cc1cccc(Cl)c1F
InChIInChI=1S/C12H13ClF4O/c13-10-5-1-3-8(11(10)14)7-9(18)4-2-6-12(15,16)17/h1,3,5,9,18H,2,4,6-7H2
InChIKeyAOYSMCICMREAPC-UHFFFAOYSA-N
MW284.68 g/mol
LogP4.12
Rot. Bonds5

About 1-(3-chloro-2-fluorophenyl)-6,6,6-trifluorohexan-2-ol

1-(3-chloro-2-fluorophenyl)-6,6,6-trifluorohexan-2-ol (PubChem CID 82805654) has the molecular formula C12H13ClF4O and a molecular weight of 284.68 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-6,6,6-trifluorohexan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-6,6,6-trifluorohexan-2-ol
PubChem CID82805654
Molecular FormulaC12H13ClF4O
Molecular Weight284.68 g/mol
Exact Mass284.06
IUPAC Name1-(3-chloro-2-fluorophenyl)-6,6,6-trifluorohexan-2-ol
SMILESOC(CCCC(F)(F)F)Cc1cccc(Cl)c1F
InChIInChI=1S/C12H13ClF4O/c13-10-5-1-3-8(11(10)14)7-9(18)4-2-6-12(15,16)17/h1,3,5,9,18H,2,4,6-7H2
InChIKeyAOYSMCICMREAPC-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.68
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-6-methylheptan-2-ol
CID 83160800
1-(3-chloro-2-fluorophenyl)nonan-2-ol
CID 82803298
1-(3-chloro-2-fluorophenyl)decan-2-ol
CID 82803410
1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-ol
CID 114855035
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 102867600
1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
CID 82802177
1-(3-chloro-2-fluorophenyl)-3-(2-methylphenyl)propan-2-ol
CID 82803418
2-(3-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 82802615
1-(3-chloro-2-fluorophenyl)-4-methylpent-4-en-2-ol
CID 82803294
1-(3-chloro-2-fluorophenyl)-4-methylheptan-2-ol
CID 82801942
1-(3-chloro-2-fluorophenyl)hex-4-yn-2-ol
CID 82802719

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-6,6,6-trifluorohexan-2-ol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-6,6,6-trifluorohexan-2-ol (CID 82805654) is 1-(3-chloro-2-fluorophenyl)-6,6,6-trifluorohexan-2-ol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-6,6,6-trifluorohexan-2-ol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-6,6,6-trifluorohexan-2-ol is OC(CCCC(F)(F)F)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-6,6,6-trifluorohexan-2-ol?
The InChIKey is AOYSMCICMREAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF4O/c13-10-5-1-3-8(11(10)14)7-9(18)4-2-6-12(15,16)17/h1,3,5,9,18H,2,4,6-7H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-6,6,6-trifluorohexan-2-ol?
1-(3-chloro-2-fluorophenyl)-6,6,6-trifluorohexan-2-ol has a molecular weight of 284.68 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-6,6,6-trifluorohexan-2-ol is sourced from PubChem (CID 82805654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).