2,2,3,3,3-pentafluoro-1-(2-methylnaphthalen-1-yl)propan-1-ol

C14H11F5O — CID 81431477

IUPAC2,2,3,3,3-pentafluoro-1-(2-methylnaphthalen-1-yl)propan-1-ol
SMILESCc1ccc2ccccc2c1C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H11F5O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(20)13(15,16)14(17,18)19/h2-7,12,20H,1H3
InChIKeyAEKLFRUENANXAI-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.38
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-1-(2-methylnaphthalen-1-yl)propan-1-ol

2,2,3,3,3-pentafluoro-1-(2-methylnaphthalen-1-yl)propan-1-ol (PubChem CID 81431477) has the molecular formula C14H11F5O and a molecular weight of 290.23 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(2-methylnaphthalen-1-yl)propan-1-ol.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(2-methylnaphthalen-1-yl)propan-1-ol
PubChem CID81431477
Molecular FormulaC14H11F5O
Molecular Weight290.23 g/mol
Exact Mass290.07
IUPAC Name2,2,3,3,3-pentafluoro-1-(2-methylnaphthalen-1-yl)propan-1-ol
SMILESCc1ccc2ccccc2c1C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H11F5O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(20)13(15,16)14(17,18)19/h2-7,12,20H,1H3
InChIKeyAEKLFRUENANXAI-UHFFFAOYSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.38
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

(1R)-2,2,2-trifluoro-1-(2-methylnaphthalen-1-yl)ethanol
CID 14810052
1-(1-chloro-4,4,4-trifluorobutyl)-2-methylnaphthalene
CID 81432520
1-(2-methylnaphthalen-1-yl)propan-1-ol
CID 80502673
2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol
CID 81432516
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene
CID 81430334
2,2,3,3-tetrafluoro-N-methyl-1-(2-methylnaphthalen-1-yl)propan-1-amine
CID 81432025
1-[1-bromo-3-(2,2,2-trifluoroethoxy)propyl]-2-methylnaphthalene
CID 103211310
2-[2-hydroxy-2-(2-methylnaphthalen-1-yl)ethoxy]acetic acid
CID 81431719
(S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol
CID 99714820
2,2,3,3,3-pentafluoro-1-(2,3,5,6-tetramethylphenyl)propan-1-ol
CID 61088665
(2-methylnaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol
CID 79020949

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(2-methylnaphthalen-1-yl)propan-1-ol?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(2-methylnaphthalen-1-yl)propan-1-ol (CID 81431477) is 2,2,3,3,3-pentafluoro-1-(2-methylnaphthalen-1-yl)propan-1-ol.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(2-methylnaphthalen-1-yl)propan-1-ol?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(2-methylnaphthalen-1-yl)propan-1-ol is Cc1ccc2ccccc2c1C(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(2-methylnaphthalen-1-yl)propan-1-ol?
The InChIKey is AEKLFRUENANXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F5O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(20)13(15,16)14(17,18)19/h2-7,12,20H,1H3.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(2-methylnaphthalen-1-yl)propan-1-ol?
2,2,3,3,3-pentafluoro-1-(2-methylnaphthalen-1-yl)propan-1-ol has a molecular weight of 290.23 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(2-methylnaphthalen-1-yl)propan-1-ol is sourced from PubChem (CID 81431477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).