2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanol

C10H11F3O — CID 117292370

IUPAC2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanol
SMILESCc1cc(CCO)cc(F)c1C(F)F
InChIInChI=1S/C10H11F3O/c1-6-4-7(2-3-14)5-8(11)9(6)10(12)13/h4-5,10,14H,2-3H2,1H3
InChIKeyKKBVPRFBIOMPPH-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.61
Rot. Bonds3

About 2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanol

2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanol (PubChem CID 117292370) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanol.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanol
PubChem CID117292370
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanol
SMILESCc1cc(CCO)cc(F)c1C(F)F
InChIInChI=1S/C10H11F3O/c1-6-4-7(2-3-14)5-8(11)9(6)10(12)13/h4-5,10,14H,2-3H2,1H3
InChIKeyKKBVPRFBIOMPPH-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanamine
CID 84671377
2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)ethanol
CID 117303138
2-(difluoromethyl)-1,3-difluoro-5-heptylbenzene
CID 20653964
(2S)-4-(4-chloro-3-fluoro-5-methylphenyl)-2-fluorobutan-1-amine
CID 90212636
2-(4-ethoxy-3,5-dimethylphenyl)ethanol
CID 91657255
1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine
CID 117359794
2-fluoro-2-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106882935
[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine
CID 117359755
2-(2-fluoro-4,6-dimethylphenyl)propanoic acid
CID 84773931
2-(3,4-dimethoxy-5-methylphenyl)ethanol
CID 117286355
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395
4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol
CID 117306626

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanol?
The IUPAC name of 2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanol (CID 117292370) is 2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanol.
What is the SMILES notation for 2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanol?
The canonical SMILES for 2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanol is Cc1cc(CCO)cc(F)c1C(F)F.
What is the InChIKey of 2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanol?
The InChIKey is KKBVPRFBIOMPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-6-4-7(2-3-14)5-8(11)9(6)10(12)13/h4-5,10,14H,2-3H2,1H3.
What are the key properties of 2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanol?
2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanol has a molecular weight of 204.19 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanol is sourced from PubChem (CID 117292370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).