1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol

C10H10ClF3O2 — CID 167854837

IUPAC1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol
SMILESOC(COc1cccc(Cl)c1)CC(F)(F)F
InChIInChI=1S/C10H10ClF3O2/c11-7-2-1-3-9(4-7)16-6-8(15)5-10(12,13)14/h1-4,8,15H,5-6H2
InChIKeyYNTASFYXYCPSSP-UHFFFAOYSA-N
MW254.63 g/mol
LogP3.03
Rot. Bonds4

About 1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol

1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol (PubChem CID 167854837) has the molecular formula C10H10ClF3O2 and a molecular weight of 254.63 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol
PubChem CID167854837
Molecular FormulaC10H10ClF3O2
Molecular Weight254.63 g/mol
Exact Mass254.03
IUPAC Name1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol
SMILESOC(COc1cccc(Cl)c1)CC(F)(F)F
InChIInChI=1S/C10H10ClF3O2/c11-7-2-1-3-9(4-7)16-6-8(15)5-10(12,13)14/h1-4,8,15H,5-6H2
InChIKeyYNTASFYXYCPSSP-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.63
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-chlorophenoxy)-4-methoxybutan-2-ol
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3-(3-chlorophenoxy)-2-methylpropan-1-ol
CID 82076436
1-(3-chlorophenoxy)undecan-2-ol
CID 105084879
(2S)-4,4,4-trifluoro-1-[3-(1,3-thiazol-2-yl)phenoxy]butan-2-ol
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2-(3-chlorophenoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106786505
1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol (CID 167854837) is 1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol is OC(COc1cccc(Cl)c1)CC(F)(F)F.
What is the InChIKey of 1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol?
The InChIKey is YNTASFYXYCPSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3O2/c11-7-2-1-3-9(4-7)16-6-8(15)5-10(12,13)14/h1-4,8,15H,5-6H2.
What are the key properties of 1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol?
1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol has a molecular weight of 254.63 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol is sourced from PubChem (CID 167854837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).