6-(3,5-difluorophenyl)hexan-3-ol

C12H16F2O — CID 105409784

IUPAC6-(3,5-difluorophenyl)hexan-3-ol
SMILESCCC(O)CCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2O/c1-2-12(15)5-3-4-9-6-10(13)8-11(14)7-9/h6-8,12,15H,2-5H2,1H3
InChIKeyVCNITWCWQUVUQU-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.06
Rot. Bonds5

About 6-(3,5-difluorophenyl)hexan-3-ol

6-(3,5-difluorophenyl)hexan-3-ol (PubChem CID 105409784) has the molecular formula C12H16F2O and a molecular weight of 214.26 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)hexan-3-ol.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)hexan-3-ol
PubChem CID105409784
Molecular FormulaC12H16F2O
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name6-(3,5-difluorophenyl)hexan-3-ol
SMILESCCC(O)CCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2O/c1-2-12(15)5-3-4-9-6-10(13)8-11(14)7-9/h6-8,12,15H,2-5H2,1H3
InChIKeyVCNITWCWQUVUQU-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(3-fluorophenyl)hexan-3-ol
CID 64515590
1-[3,5-bis(3-hydroxypentyl)phenyl]pentan-3-ol
CID 22239510
6-(4-ethylphenyl)hexan-3-ol
CID 64514640
6-(3-methylphenyl)hexan-3-ol
CID 64513249
(2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol
CID 95438340
1-(3,5-difluorophenyl)-N-ethylheptan-4-amine
CID 105409696
4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol
CID 142279599
nonane-3,7-diol
CID 22141483
1-(3,5-difluorophenyl)-5-methoxypentan-2-ol
CID 115601584
1,3-difluoro-5-propylbenzene;fluoromethane
CID 143588669
6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine
CID 79709363
3-(3-ethyl-5-fluorophenyl)propan-1-ol
CID 117279245

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)hexan-3-ol?
The IUPAC name of 6-(3,5-difluorophenyl)hexan-3-ol (CID 105409784) is 6-(3,5-difluorophenyl)hexan-3-ol.
What is the SMILES notation for 6-(3,5-difluorophenyl)hexan-3-ol?
The canonical SMILES for 6-(3,5-difluorophenyl)hexan-3-ol is CCC(O)CCCc1cc(F)cc(F)c1.
What is the InChIKey of 6-(3,5-difluorophenyl)hexan-3-ol?
The InChIKey is VCNITWCWQUVUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-2-12(15)5-3-4-9-6-10(13)8-11(14)7-9/h6-8,12,15H,2-5H2,1H3.
What are the key properties of 6-(3,5-difluorophenyl)hexan-3-ol?
6-(3,5-difluorophenyl)hexan-3-ol has a molecular weight of 214.26 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)hexan-3-ol is sourced from PubChem (CID 105409784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).