7-fluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol

C12H15FO — CID 144629304

IUPAC7-fluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol
SMILESCC1(C)CC(O)Cc2cc(F)ccc21
InChIInChI=1S/C12H15FO/c1-12(2)7-10(14)6-8-5-9(13)3-4-11(8)12/h3-5,10,14H,6-7H2,1-2H3
InChIKeyVCQBZLPWAPNTRB-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.41
Rot. Bonds

About 7-fluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol

7-fluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol (PubChem CID 144629304) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 7-fluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name7-fluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol
PubChem CID144629304
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name7-fluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol
SMILESCC1(C)CC(O)Cc2cc(F)ccc21
InChIInChI=1S/C12H15FO/c1-12(2)7-10(14)6-8-5-9(13)3-4-11(8)12/h3-5,10,14H,6-7H2,1-2H3
InChIKeyVCQBZLPWAPNTRB-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 7-fluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol (CID 144629304) is 7-fluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 7-fluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 7-fluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol is CC1(C)CC(O)Cc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol?
The InChIKey is VCQBZLPWAPNTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-12(2)7-10(14)6-8-5-9(13)3-4-11(8)12/h3-5,10,14H,6-7H2,1-2H3.
What are the key properties of 7-fluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol?
7-fluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol has a molecular weight of 194.25 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 144629304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).