3-(4,4-difluoropiperidin-2-yl)phenol

C11H13F2NO — CID 84782688

IUPAC3-(4,4-difluoropiperidin-2-yl)phenol
SMILESOc1cccc(C2CC(F)(F)CCN2)c1
InChIInChI=1S/C11H13F2NO/c12-11(13)4-5-14-10(7-11)8-2-1-3-9(15)6-8/h1-3,6,10,14-15H,4-5,7H2
InChIKeyMQKVCDGILFTEFL-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.45
Rot. Bonds1

About 3-(4,4-difluoropiperidin-2-yl)phenol

3-(4,4-difluoropiperidin-2-yl)phenol (PubChem CID 84782688) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-(4,4-difluoropiperidin-2-yl)phenol.

Molecular Properties

Compound Name3-(4,4-difluoropiperidin-2-yl)phenol
PubChem CID84782688
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-(4,4-difluoropiperidin-2-yl)phenol
SMILESOc1cccc(C2CC(F)(F)CCN2)c1
InChIInChI=1S/C11H13F2NO/c12-11(13)4-5-14-10(7-11)8-2-1-3-9(15)6-8/h1-3,6,10,14-15H,4-5,7H2
InChIKeyMQKVCDGILFTEFL-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-difluoro-2-phenylpiperidine;ethane
CID 145285471
3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol
CID 84720458
3-[(2S)-piperidin-2-yl]phenol
CID 55277853
5-[(2S)-4,4-difluoropiperidin-2-yl]-2-methylpyridine
CID 167033139
4,4-difluoro-2-(3-methylphenyl)pyrrolidine
CID 84720826
2-(3-bromophenyl)-4,4-difluoropyrrolidine
CID 84729618
3-(3,3-difluoropiperidin-4-yl)phenol
CID 105426893
3-(5-azaspiro[2.4]heptan-2-yl)phenol
CID 115017881
4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 115039890
4-(3-hydroxyphenyl)-1,3-diazinan-2-one
CID 105445856
3-[4-(methoxymethyl)piperidin-2-yl]phenol
CID 105477696
3-[(4R)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-4-yl]phenol
CID 40637861

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoropiperidin-2-yl)phenol?
The IUPAC name of 3-(4,4-difluoropiperidin-2-yl)phenol (CID 84782688) is 3-(4,4-difluoropiperidin-2-yl)phenol.
What is the SMILES notation for 3-(4,4-difluoropiperidin-2-yl)phenol?
The canonical SMILES for 3-(4,4-difluoropiperidin-2-yl)phenol is Oc1cccc(C2CC(F)(F)CCN2)c1.
What is the InChIKey of 3-(4,4-difluoropiperidin-2-yl)phenol?
The InChIKey is MQKVCDGILFTEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-11(13)4-5-14-10(7-11)8-2-1-3-9(15)6-8/h1-3,6,10,14-15H,4-5,7H2.
What are the key properties of 3-(4,4-difluoropiperidin-2-yl)phenol?
3-(4,4-difluoropiperidin-2-yl)phenol has a molecular weight of 213.23 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoropiperidin-2-yl)phenol is sourced from PubChem (CID 84782688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).