cyclopropyl-(2,3,4,6-tetrafluorophenyl)methanol

C10H8F4O — CID 139965756

IUPACcyclopropyl-(2,3,4,6-tetrafluorophenyl)methanol
SMILESOC(c1c(F)cc(F)c(F)c1F)C1CC1
InChIInChI=1S/C10H8F4O/c11-5-3-6(12)8(13)9(14)7(5)10(15)4-1-2-4/h3-4,10,15H,1-2H2
InChIKeyADNKTDFLDYGBNN-UHFFFAOYSA-N
MW220.16 g/mol
LogP2.69
Rot. Bonds2

About cyclopropyl-(2,3,4,6-tetrafluorophenyl)methanol

cyclopropyl-(2,3,4,6-tetrafluorophenyl)methanol (PubChem CID 139965756) has the molecular formula C10H8F4O and a molecular weight of 220.16 g/mol. Its IUPAC name is cyclopropyl-(2,3,4,6-tetrafluorophenyl)methanol.

Molecular Properties

Compound Namecyclopropyl-(2,3,4,6-tetrafluorophenyl)methanol
PubChem CID139965756
Molecular FormulaC10H8F4O
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Namecyclopropyl-(2,3,4,6-tetrafluorophenyl)methanol
SMILESOC(c1c(F)cc(F)c(F)c1F)C1CC1
InChIInChI=1S/C10H8F4O/c11-5-3-6(12)8(13)9(14)7(5)10(15)4-1-2-4/h3-4,10,15H,1-2H2
InChIKeyADNKTDFLDYGBNN-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

cyclopropyl-(2,3,6-trifluorophenyl)methanol
CID 139965789
cyclopropyl-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61099955
cyclopentyl-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115840535
1-(2,3,4,6-tetrafluorophenyl)propan-1-ol
CID 139965748
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 106945185
(4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol
CID 65425286
(2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol
CID 171366108
oxolan-3-yl-(2,4,6-trifluorophenyl)methanol
CID 61277498
(1R,2S)-2-amino-1-cyclopropyl-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride
CID 171161607
cyclobutyl-(2,3,4-trifluorophenyl)methanol
CID 64986364
2-[(R)-amino(cyclohexyl)methyl]-3,4,5-trifluorophenol;hydrochloride
CID 171257718
2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol
CID 171301248

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2,3,4,6-tetrafluorophenyl)methanol?
The IUPAC name of cyclopropyl-(2,3,4,6-tetrafluorophenyl)methanol (CID 139965756) is cyclopropyl-(2,3,4,6-tetrafluorophenyl)methanol.
What is the SMILES notation for cyclopropyl-(2,3,4,6-tetrafluorophenyl)methanol?
The canonical SMILES for cyclopropyl-(2,3,4,6-tetrafluorophenyl)methanol is OC(c1c(F)cc(F)c(F)c1F)C1CC1.
What is the InChIKey of cyclopropyl-(2,3,4,6-tetrafluorophenyl)methanol?
The InChIKey is ADNKTDFLDYGBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O/c11-5-3-6(12)8(13)9(14)7(5)10(15)4-1-2-4/h3-4,10,15H,1-2H2.
What are the key properties of cyclopropyl-(2,3,4,6-tetrafluorophenyl)methanol?
cyclopropyl-(2,3,4,6-tetrafluorophenyl)methanol has a molecular weight of 220.16 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2,3,4,6-tetrafluorophenyl)methanol is sourced from PubChem (CID 139965756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).