1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol

C12H8ClF3O — CID 79597742

IUPAC1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol
SMILESOC(c1ccc(Cl)c2ccccc12)C(F)(F)F
InChIInChI=1S/C12H8ClF3O/c13-10-6-5-9(11(17)12(14,15)16)7-3-1-2-4-8(7)10/h1-6,11,17H
InChIKeyMOFNTMYBZJEPBN-UHFFFAOYSA-N
MW260.64 g/mol
LogP4.09
Rot. Bonds1

About 1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol

1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol (PubChem CID 79597742) has the molecular formula C12H8ClF3O and a molecular weight of 260.64 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol
PubChem CID79597742
Molecular FormulaC12H8ClF3O
Molecular Weight260.64 g/mol
Exact Mass260.02
IUPAC Name1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol
SMILESOC(c1ccc(Cl)c2ccccc12)C(F)(F)F
InChIInChI=1S/C12H8ClF3O/c13-10-6-5-9(11(17)12(14,15)16)7-3-1-2-4-8(7)10/h1-6,11,17H
InChIKeyMOFNTMYBZJEPBN-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.64
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloronaphthalen-1-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 79597809
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
(1R)-2,2,2-trifluoro-1-(4-nitronaphthalen-1-yl)ethanol
CID 163696387
(4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol
CID 79597180
(4-chloronaphthalen-1-yl)-cyclobutylmethanol
CID 79597390
(1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol
CID 3246100
1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine
CID 79597241
1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene
CID 79597822
1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
CID 107991970
(1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol
CID 71757522
(1S)-2,2,2-trifluoro-1-[8-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anthracen-1-yl]ethanol
CID 91218434
1-(4-chloronaphthalen-1-yl)-2-methylsulfonylethanol
CID 79597388

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol (CID 79597742) is 1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol is OC(c1ccc(Cl)c2ccccc12)C(F)(F)F.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol?
The InChIKey is MOFNTMYBZJEPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3O/c13-10-6-5-9(11(17)12(14,15)16)7-3-1-2-4-8(7)10/h1-6,11,17H.
What are the key properties of 1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol?
1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol has a molecular weight of 260.64 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 79597742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).