2,6-difluoro-3-(4-methylpentan-2-yl)phenol

C12H16F2O — CID 139501163

IUPAC2,6-difluoro-3-(4-methylpentan-2-yl)phenol
SMILESCC(C)CC(C)c1ccc(F)c(O)c1F
InChIInChI=1S/C12H16F2O/c1-7(2)6-8(3)9-4-5-10(13)12(15)11(9)14/h4-5,7-8,15H,6H2,1-3H3
InChIKeyFHIVSVRJMQRVFS-UHFFFAOYSA-N
MW214.25 g/mol
LogP3.82
Rot. Bonds3

About 2,6-difluoro-3-(4-methylpentan-2-yl)phenol

2,6-difluoro-3-(4-methylpentan-2-yl)phenol (PubChem CID 139501163) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 2,6-difluoro-3-(4-methylpentan-2-yl)phenol.

Molecular Properties

Compound Name2,6-difluoro-3-(4-methylpentan-2-yl)phenol
PubChem CID139501163
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name2,6-difluoro-3-(4-methylpentan-2-yl)phenol
SMILESCC(C)CC(C)c1ccc(F)c(O)c1F
InChIInChI=1S/C12H16F2O/c1-7(2)6-8(3)9-4-5-10(13)12(15)11(9)14/h4-5,7-8,15H,6H2,1-3H3
InChIKeyFHIVSVRJMQRVFS-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4,4-dimethylpentan-2-yl)-2,6-difluorophenol
CID 167231877
6-[(1R)-1-amino-3-methylbutyl]-2,3-difluorophenol;hydrochloride
CID 171256473
4-(2,3,4-trifluorophenyl)pentan-2-amine
CID 64721181
2-amino-6-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol
CID 171254065
2-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride
CID 171257409
2,3-difluoro-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol
CID 171297587
1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol
CID 63082094
3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol
CID 117281030
3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol
CID 117288592
2-[(1R)-1-amino-3-methylbutyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171256902
2,6-difluoro-3-methylphenol;ethane
CID 143572521
6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride
CID 171253098

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(4-methylpentan-2-yl)phenol?
The IUPAC name of 2,6-difluoro-3-(4-methylpentan-2-yl)phenol (CID 139501163) is 2,6-difluoro-3-(4-methylpentan-2-yl)phenol.
What is the SMILES notation for 2,6-difluoro-3-(4-methylpentan-2-yl)phenol?
The canonical SMILES for 2,6-difluoro-3-(4-methylpentan-2-yl)phenol is CC(C)CC(C)c1ccc(F)c(O)c1F.
What is the InChIKey of 2,6-difluoro-3-(4-methylpentan-2-yl)phenol?
The InChIKey is FHIVSVRJMQRVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-7(2)6-8(3)9-4-5-10(13)12(15)11(9)14/h4-5,7-8,15H,6H2,1-3H3.
What are the key properties of 2,6-difluoro-3-(4-methylpentan-2-yl)phenol?
2,6-difluoro-3-(4-methylpentan-2-yl)phenol has a molecular weight of 214.25 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(4-methylpentan-2-yl)phenol is sourced from PubChem (CID 139501163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).