1-(2,5-difluoro-4-methylsulfanylphenyl)cyclopropan-1-ol

C10H10F2OS — CID 117308101

IUPAC1-(2,5-difluoro-4-methylsulfanylphenyl)cyclopropan-1-ol
SMILESCSc1cc(F)c(C2(O)CC2)cc1F
InChIInChI=1S/C10H10F2OS/c1-14-9-5-7(11)6(4-8(9)12)10(13)2-3-10/h4-5,13H,2-3H2,1H3
InChIKeyYZTGZFZYLIPLON-UHFFFAOYSA-N
MW216.25 g/mol
LogP2.67
Rot. Bonds2

About 1-(2,5-difluoro-4-methylsulfanylphenyl)cyclopropan-1-ol

1-(2,5-difluoro-4-methylsulfanylphenyl)cyclopropan-1-ol (PubChem CID 117308101) has the molecular formula C10H10F2OS and a molecular weight of 216.25 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylsulfanylphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylsulfanylphenyl)cyclopropan-1-ol
PubChem CID117308101
Molecular FormulaC10H10F2OS
Molecular Weight216.25 g/mol
Exact Mass216.04
IUPAC Name1-(2,5-difluoro-4-methylsulfanylphenyl)cyclopropan-1-ol
SMILESCSc1cc(F)c(C2(O)CC2)cc1F
InChIInChI=1S/C10H10F2OS/c1-14-9-5-7(11)6(4-8(9)12)10(13)2-3-10/h4-5,13H,2-3H2,1H3
InChIKeyYZTGZFZYLIPLON-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,5-difluoro-4-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117399174
1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol
CID 117332594
1-(4-bromo-5-fluoro-2-methoxyphenyl)cyclopropan-1-ol
CID 84806667
1-(2-amino-5-fluoro-4-methylphenyl)cyclopropan-1-ol
CID 168788223
1-(5-fluoro-2-methyl-1H-indol-6-yl)cyclopropan-1-ol
CID 117293363
1-(3-fluoro-2,5-dimethylphenyl)cyclopropan-1-ol
CID 84768148
5-fluoro-2-(1-hydroxycyclopropyl)-4-methoxyphenol
CID 117287689
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopropan-1-ol
CID 84773917
1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol
CID 117297836
1-(5-chloro-2-fluoro-4-methylphenyl)cyclobutan-1-ol
CID 171367784
1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol
CID 117325333
1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol
CID 117435002

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylsulfanylphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(2,5-difluoro-4-methylsulfanylphenyl)cyclopropan-1-ol (CID 117308101) is 1-(2,5-difluoro-4-methylsulfanylphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(2,5-difluoro-4-methylsulfanylphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(2,5-difluoro-4-methylsulfanylphenyl)cyclopropan-1-ol is CSc1cc(F)c(C2(O)CC2)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylsulfanylphenyl)cyclopropan-1-ol?
The InChIKey is YZTGZFZYLIPLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2OS/c1-14-9-5-7(11)6(4-8(9)12)10(13)2-3-10/h4-5,13H,2-3H2,1H3.
What are the key properties of 1-(2,5-difluoro-4-methylsulfanylphenyl)cyclopropan-1-ol?
1-(2,5-difluoro-4-methylsulfanylphenyl)cyclopropan-1-ol has a molecular weight of 216.25 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylsulfanylphenyl)cyclopropan-1-ol is sourced from PubChem (CID 117308101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).