1-(4-chloronaphthalen-1-yl)-2,2,3,3,3-pentafluoropropan-1-ol

C13H8ClF5O — CID 79597809

IUPAC1-(4-chloronaphthalen-1-yl)-2,2,3,3,3-pentafluoropropan-1-ol
SMILESOC(c1ccc(Cl)c2ccccc12)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H8ClF5O/c14-10-6-5-9(7-3-1-2-4-8(7)10)11(20)12(15,16)13(17,18)19/h1-6,11,20H
InChIKeyRMRBUCGLNFJZIA-UHFFFAOYSA-N
MW310.65 g/mol
LogP4.72
Rot. Bonds2

About 1-(4-chloronaphthalen-1-yl)-2,2,3,3,3-pentafluoropropan-1-ol

1-(4-chloronaphthalen-1-yl)-2,2,3,3,3-pentafluoropropan-1-ol (PubChem CID 79597809) has the molecular formula C13H8ClF5O and a molecular weight of 310.65 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)-2,2,3,3,3-pentafluoropropan-1-ol.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)-2,2,3,3,3-pentafluoropropan-1-ol
PubChem CID79597809
Molecular FormulaC13H8ClF5O
Molecular Weight310.65 g/mol
Exact Mass310.02
IUPAC Name1-(4-chloronaphthalen-1-yl)-2,2,3,3,3-pentafluoropropan-1-ol
SMILESOC(c1ccc(Cl)c2ccccc12)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H8ClF5O/c14-10-6-5-9(7-3-1-2-4-8(7)10)11(20)12(15,16)13(17,18)19/h1-6,11,20H
InChIKeyRMRBUCGLNFJZIA-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.65
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol
CID 79597742
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 114939506
(4-chloronaphthalen-1-yl)-phenylmethanamine
CID 79597515
(4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol
CID 79597180
(4-chloronaphthalen-1-yl)-(4-fluorophenyl)methanamine
CID 79596820
(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-(4-chloronaphthalen-1-yl)nonan-1-ol
CID 79592377
(4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine
CID 107998798

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)-2,2,3,3,3-pentafluoropropan-1-ol?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)-2,2,3,3,3-pentafluoropropan-1-ol (CID 79597809) is 1-(4-chloronaphthalen-1-yl)-2,2,3,3,3-pentafluoropropan-1-ol.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)-2,2,3,3,3-pentafluoropropan-1-ol?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)-2,2,3,3,3-pentafluoropropan-1-ol is OC(c1ccc(Cl)c2ccccc12)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)-2,2,3,3,3-pentafluoropropan-1-ol?
The InChIKey is RMRBUCGLNFJZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF5O/c14-10-6-5-9(7-3-1-2-4-8(7)10)11(20)12(15,16)13(17,18)19/h1-6,11,20H.
What are the key properties of 1-(4-chloronaphthalen-1-yl)-2,2,3,3,3-pentafluoropropan-1-ol?
1-(4-chloronaphthalen-1-yl)-2,2,3,3,3-pentafluoropropan-1-ol has a molecular weight of 310.65 g/mol, XLogP of 4.72, 2 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)-2,2,3,3,3-pentafluoropropan-1-ol is sourced from PubChem (CID 79597809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).