1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol

C14H20F2O — CID 114200459

IUPAC1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol
SMILESCC(C)CC(C)CC(O)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2O/c1-9(2)6-10(3)7-14(17)12-8-11(15)4-5-13(12)16/h4-5,8-10,14,17H,6-7H2,1-3H3
InChIKeyFTLBDUBAVVRFRV-UHFFFAOYSA-N
MW242.31 g/mol
LogP4.07
Rot. Bonds5

About 1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol

1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol (PubChem CID 114200459) has the molecular formula C14H20F2O and a molecular weight of 242.31 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol
PubChem CID114200459
Molecular FormulaC14H20F2O
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol
SMILESCC(C)CC(C)CC(O)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2O/c1-9(2)6-10(3)7-14(17)12-8-11(15)4-5-13(12)16/h4-5,8-10,14,17H,6-7H2,1-3H3
InChIKeyFTLBDUBAVVRFRV-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
1-(2-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 62789444
1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol
CID 82685546
2-(1-chloro-3-methylbutyl)-1,4-difluorobenzene
CID 61086362
1-(2,5-difluorophenyl)pent-3-yn-1-ol
CID 63673084
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol
CID 114200460
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 61100110
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
CID 43482933

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol?
The IUPAC name of 1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol (CID 114200459) is 1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol is CC(C)CC(C)CC(O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol?
The InChIKey is FTLBDUBAVVRFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2O/c1-9(2)6-10(3)7-14(17)12-8-11(15)4-5-13(12)16/h4-5,8-10,14,17H,6-7H2,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol?
1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol has a molecular weight of 242.31 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol is sourced from PubChem (CID 114200459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).