2-fluoro-1,1,2-trinaphthalen-1-ylethanol

C32H23FO — CID 102110892

IUPAC2-fluoro-1,1,2-trinaphthalen-1-ylethanol
SMILESOC(c1cccc2ccccc12)(c1cccc2ccccc12)C(F)c1cccc2ccccc12
InChIInChI=1S/C32H23FO/c33-31(28-19-7-13-22-10-1-4-16-25(22)28)32(34,29-20-8-14-23-11-2-5-17-26(23)29)30-21-9-15-24-12-3-6-18-27(24)30/h1-21,31,34H
InChIKeyDDHKQOYZNYFYOF-UHFFFAOYSA-N
MW442.53 g/mol
LogP8.09
Rot. Bonds4

About 2-fluoro-1,1,2-trinaphthalen-1-ylethanol

2-fluoro-1,1,2-trinaphthalen-1-ylethanol (PubChem CID 102110892) has the molecular formula C32H23FO and a molecular weight of 442.53 g/mol. Its IUPAC name is 2-fluoro-1,1,2-trinaphthalen-1-ylethanol.

Molecular Properties

Compound Name2-fluoro-1,1,2-trinaphthalen-1-ylethanol
PubChem CID102110892
Molecular FormulaC32H23FO
Molecular Weight442.53 g/mol
Exact Mass442.17
IUPAC Name2-fluoro-1,1,2-trinaphthalen-1-ylethanol
SMILESOC(c1cccc2ccccc12)(c1cccc2ccccc12)C(F)c1cccc2ccccc12
InChIInChI=1S/C32H23FO/c33-31(28-19-7-13-22-10-1-4-16-25(22)28)32(34,29-20-8-14-23-11-2-5-17-26(23)29)30-21-9-15-24-12-3-6-18-27(24)30/h1-21,31,34H
InChIKeyDDHKQOYZNYFYOF-UHFFFAOYSA-N
XLogP8.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.53
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol
CID 23002853
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
1-(1-bromo-2,2,3,3-tetrafluoropropyl)naphthalene
CID 79660470
1-(trichloromethyl)naphthalene
CID 12791328
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
(2R)-2-amino-2-naphthalen-1-yl-1,1-diphenylethanol
CID 66807943
2,2,2-trichloro-1-naphthalen-1-ylethanamine
CID 101218530
2,2-difluoro-2-naphthalen-1-ylethanol
CID 116841204
2-fluoro-2-naphthalen-1-ylethanamine
CID 112562724
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457
1-amino-2-methyl-1-naphthalen-1-ylpropan-2-ol
CID 23091320
1-(2,4-dimethylpentan-3-yl)naphthalene;1-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)naphthalene
CID 173312876

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,1,2-trinaphthalen-1-ylethanol?
The IUPAC name of 2-fluoro-1,1,2-trinaphthalen-1-ylethanol (CID 102110892) is 2-fluoro-1,1,2-trinaphthalen-1-ylethanol.
What is the SMILES notation for 2-fluoro-1,1,2-trinaphthalen-1-ylethanol?
The canonical SMILES for 2-fluoro-1,1,2-trinaphthalen-1-ylethanol is OC(c1cccc2ccccc12)(c1cccc2ccccc12)C(F)c1cccc2ccccc12.
What is the InChIKey of 2-fluoro-1,1,2-trinaphthalen-1-ylethanol?
The InChIKey is DDHKQOYZNYFYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23FO/c33-31(28-19-7-13-22-10-1-4-16-25(22)28)32(34,29-20-8-14-23-11-2-5-17-26(23)29)30-21-9-15-24-12-3-6-18-27(24)30/h1-21,31,34H.
What are the key properties of 2-fluoro-1,1,2-trinaphthalen-1-ylethanol?
2-fluoro-1,1,2-trinaphthalen-1-ylethanol has a molecular weight of 442.53 g/mol, XLogP of 8.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,1,2-trinaphthalen-1-ylethanol is sourced from PubChem (CID 102110892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).