3-(2,6-difluoro-3-propan-2-ylphenyl)propan-1-ol

C12H16F2O — CID 117305527

IUPAC3-(2,6-difluoro-3-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc(F)c(CCCO)c1F
InChIInChI=1S/C12H16F2O/c1-8(2)9-5-6-11(13)10(12(9)14)4-3-7-15/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyGVQMJSOQPOSKEB-UHFFFAOYSA-N
MW214.25 g/mol
LogP3.01
Rot. Bonds4

About 3-(2,6-difluoro-3-propan-2-ylphenyl)propan-1-ol

3-(2,6-difluoro-3-propan-2-ylphenyl)propan-1-ol (PubChem CID 117305527) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 3-(2,6-difluoro-3-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,6-difluoro-3-propan-2-ylphenyl)propan-1-ol
PubChem CID117305527
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name3-(2,6-difluoro-3-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc(F)c(CCCO)c1F
InChIInChI=1S/C12H16F2O/c1-8(2)9-5-6-11(13)10(12(9)14)4-3-7-15/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyGVQMJSOQPOSKEB-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-3-(2,6-difluoro-3-propan-2-ylphenyl)propanoic acid
CID 117359427
3-(2,4-difluoro-3-methylphenyl)propan-1-ol
CID 66733705
3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol
CID 117286425
4-(2,6-difluoro-3-methylphenyl)butan-2-ol
CID 82822175
1-fluoro-2-pentyl-3-propan-2-ylbenzene
CID 173336304
1-[2,4-difluoro-3-(methoxymethyl)phenyl]ethanol
CID 117290657
2,4-difluoro-3-(2-hydroxyethyl)phenol
CID 117277061
2,6-difluoro-3-propan-2-ylbenzoic acid
CID 20820281
3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol
CID 117322509
2-(3-bromobutyl)-1,3-difluoro-4-methylbenzene
CID 82822177
2-(2,3-difluoro-4-methylphenyl)propan-1-ol
CID 117280430
2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene
CID 82822097

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-3-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 3-(2,6-difluoro-3-propan-2-ylphenyl)propan-1-ol (CID 117305527) is 3-(2,6-difluoro-3-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2,6-difluoro-3-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 3-(2,6-difluoro-3-propan-2-ylphenyl)propan-1-ol is CC(C)c1ccc(F)c(CCCO)c1F.
What is the InChIKey of 3-(2,6-difluoro-3-propan-2-ylphenyl)propan-1-ol?
The InChIKey is GVQMJSOQPOSKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-8(2)9-5-6-11(13)10(12(9)14)4-3-7-15/h5-6,8,15H,3-4,7H2,1-2H3.
What are the key properties of 3-(2,6-difluoro-3-propan-2-ylphenyl)propan-1-ol?
3-(2,6-difluoro-3-propan-2-ylphenyl)propan-1-ol has a molecular weight of 214.25 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-3-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 117305527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).