(2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol

C12H13F3O2 — CID 65420822

IUPAC(2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol
SMILESCC1CC1C(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H13F3O2/c1-7-6-9(7)11(16)8-4-2-3-5-10(8)17-12(13,14)15/h2-5,7,9,11,16H,6H2,1H3
InChIKeyCEMKBPDRZZSAFV-UHFFFAOYSA-N
MW246.23 g/mol
LogP3.27
Rot. Bonds3

About (2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol

(2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol (PubChem CID 65420822) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is (2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol
PubChem CID65420822
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name(2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol
SMILESCC1CC1C(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H13F3O2/c1-7-6-9(7)11(16)8-4-2-3-5-10(8)17-12(13,14)15/h2-5,7,9,11,16H,6H2,1H3
InChIKeyCEMKBPDRZZSAFV-UHFFFAOYSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethylcyclohexyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63894152
cyclohexyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62790469
(S)-chloro-[2-(trifluoromethoxy)phenyl]methanol
CID 130359004
phenyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62789776
(1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171160319
(2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol
CID 116810169
1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 43150354
2-ethyl-1-[2-(trifluoromethoxy)phenyl]butane-1,2-diol
CID 103449289
(1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride
CID 171161762
(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792609
(2-bromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 62791669
(2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 107004373

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol (CID 65420822) is (2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol is CC1CC1C(O)c1ccccc1OC(F)(F)F.
What is the InChIKey of (2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol?
The InChIKey is CEMKBPDRZZSAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O2/c1-7-6-9(7)11(16)8-4-2-3-5-10(8)17-12(13,14)15/h2-5,7,9,11,16H,6H2,1H3.
What are the key properties of (2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol?
(2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol has a molecular weight of 246.23 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 65420822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).