cyclopropyl-(2,3,6-trifluorophenyl)methanol

C10H9F3O — CID 139965789

IUPACcyclopropyl-(2,3,6-trifluorophenyl)methanol
SMILESOC(c1c(F)ccc(F)c1F)C1CC1
InChIInChI=1S/C10H9F3O/c11-6-3-4-7(12)9(13)8(6)10(14)5-1-2-5/h3-5,10,14H,1-2H2
InChIKeyLMYDGLKSVNUYNA-UHFFFAOYSA-N
MW202.17 g/mol
LogP2.55
Rot. Bonds2

About cyclopropyl-(2,3,6-trifluorophenyl)methanol

cyclopropyl-(2,3,6-trifluorophenyl)methanol (PubChem CID 139965789) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is cyclopropyl-(2,3,6-trifluorophenyl)methanol.

Molecular Properties

Compound Namecyclopropyl-(2,3,6-trifluorophenyl)methanol
PubChem CID139965789
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Namecyclopropyl-(2,3,6-trifluorophenyl)methanol
SMILESOC(c1c(F)ccc(F)c1F)C1CC1
InChIInChI=1S/C10H9F3O/c11-6-3-4-7(12)9(13)8(6)10(14)5-1-2-5/h3-5,10,14H,1-2H2
InChIKeyLMYDGLKSVNUYNA-UHFFFAOYSA-N
XLogP2.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-(2,3,4,6-tetrafluorophenyl)methanol
CID 139965756
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 106945185
(2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol
CID 171366108
(4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol
CID 65425286
(2,6-difluoro-3-methylphenyl)-(1,1-dioxothiolan-3-yl)methanol
CID 82823031
cyclobutyl-(2,3,4-trifluorophenyl)methanol
CID 64986364
1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol
CID 106942151
oxan-4-yl-(2,3,4-trifluorophenyl)methanol
CID 63902199
cyclopentyl-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115840535
cyclopropyl-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61099955
cyclopentyl-(2,3-difluorophenyl)methanol
CID 63894572
1-[(S)-cyclopropyl-(2,3,6-trifluorophenyl)methyl]piperazine
CID 171277670

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2,3,6-trifluorophenyl)methanol?
The IUPAC name of cyclopropyl-(2,3,6-trifluorophenyl)methanol (CID 139965789) is cyclopropyl-(2,3,6-trifluorophenyl)methanol.
What is the SMILES notation for cyclopropyl-(2,3,6-trifluorophenyl)methanol?
The canonical SMILES for cyclopropyl-(2,3,6-trifluorophenyl)methanol is OC(c1c(F)ccc(F)c1F)C1CC1.
What is the InChIKey of cyclopropyl-(2,3,6-trifluorophenyl)methanol?
The InChIKey is LMYDGLKSVNUYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c11-6-3-4-7(12)9(13)8(6)10(14)5-1-2-5/h3-5,10,14H,1-2H2.
What are the key properties of cyclopropyl-(2,3,6-trifluorophenyl)methanol?
cyclopropyl-(2,3,6-trifluorophenyl)methanol has a molecular weight of 202.17 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2,3,6-trifluorophenyl)methanol is sourced from PubChem (CID 139965789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).