(3,5-difluoro-4-propylsulfanylphenyl)methanol

C10H12F2OS — CID 63814984

IUPAC(3,5-difluoro-4-propylsulfanylphenyl)methanol
SMILESCCCSc1c(F)cc(CO)cc1F
InChIInChI=1S/C10H12F2OS/c1-2-3-14-10-8(11)4-7(6-13)5-9(10)12/h4-5,13H,2-3,6H2,1H3
InChIKeyFJVXPLPYQMFMNA-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.96
Rot. Bonds4

About (3,5-difluoro-4-propylsulfanylphenyl)methanol

(3,5-difluoro-4-propylsulfanylphenyl)methanol (PubChem CID 63814984) has the molecular formula C10H12F2OS and a molecular weight of 218.27 g/mol. Its IUPAC name is (3,5-difluoro-4-propylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(3,5-difluoro-4-propylsulfanylphenyl)methanol
PubChem CID63814984
Molecular FormulaC10H12F2OS
Molecular Weight218.27 g/mol
Exact Mass218.06
IUPAC Name(3,5-difluoro-4-propylsulfanylphenyl)methanol
SMILESCCCSc1c(F)cc(CO)cc1F
InChIInChI=1S/C10H12F2OS/c1-2-3-14-10-8(11)4-7(6-13)5-9(10)12/h4-5,13H,2-3,6H2,1H3
InChIKeyFJVXPLPYQMFMNA-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylsulfanyl-3,5-difluorophenyl)methanol
CID 63813506
methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate
CID 63835391
2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanyl-N-propan-2-ylacetamide
CID 114234861
2-butylsulfanyl-1,3,5-trifluorobenzene
CID 142501810
2-[4-[(tert-butylamino)methyl]-2,6-difluorophenyl]sulfanylethanol
CID 55238305
N-[[3,5-difluoro-4-(2-methoxyethylsulfanyl)phenyl]methyl]ethanamine
CID 63807299
N-[[3,5-difluoro-4-(3-methylbutylsulfanyl)phenyl]methyl]ethanamine
CID 107761796
(3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol
CID 63813721
tetrakis(4-butylsulfanyl-3,5-difluorophenyl)boranuide
CID 59545105
2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine
CID 63835465
[3,5-difluoro-4-(2-methoxyethylsulfanyl)phenyl]methanamine
CID 63808183
1-(4-ethylsulfanyl-3,5-difluorophenyl)-N-methylmethanamine
CID 63805016

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-4-propylsulfanylphenyl)methanol?
The IUPAC name of (3,5-difluoro-4-propylsulfanylphenyl)methanol (CID 63814984) is (3,5-difluoro-4-propylsulfanylphenyl)methanol.
What is the SMILES notation for (3,5-difluoro-4-propylsulfanylphenyl)methanol?
The canonical SMILES for (3,5-difluoro-4-propylsulfanylphenyl)methanol is CCCSc1c(F)cc(CO)cc1F.
What is the InChIKey of (3,5-difluoro-4-propylsulfanylphenyl)methanol?
The InChIKey is FJVXPLPYQMFMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2OS/c1-2-3-14-10-8(11)4-7(6-13)5-9(10)12/h4-5,13H,2-3,6H2,1H3.
What are the key properties of (3,5-difluoro-4-propylsulfanylphenyl)methanol?
(3,5-difluoro-4-propylsulfanylphenyl)methanol has a molecular weight of 218.27 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-4-propylsulfanylphenyl)methanol is sourced from PubChem (CID 63814984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).