1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol

C12H16F3NO — CID 112742811

IUPAC1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1ccc[nH]1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H16F3NO/c13-12(14,15)9-4-1-3-8(7-9)11(17)10-5-2-6-16-10/h2,5-6,8-9,11,16-17H,1,3-4,7H2
InChIKeyZQGIMQASKCNJHM-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.42
Rot. Bonds2

About 1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol

1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 112742811) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol
PubChem CID112742811
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1ccc[nH]1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H16F3NO/c13-12(14,15)9-4-1-3-8(7-9)11(17)10-5-2-6-16-10/h2,5-6,8-9,11,16-17H,1,3-4,7H2
InChIKeyZQGIMQASKCNJHM-UHFFFAOYSA-N
XLogP3.42
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(4-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105095256
(4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105092082
(4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105129742
(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105082980
2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
CID 105122947
(3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane
CID 146632246
(5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105121215
3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol
CID 87873280
2-[3-(trifluoromethyl)cyclohexyl]propanedioic acid
CID 22715203
(2,5-difluorophenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105143945
1-(1-bromoethyl)-3-(trifluoromethyl)cyclohexane
CID 66471870
(R)-cyclohexyl(1H-pyrrol-2-yl)methanamine
CID 130674193

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of 1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol (CID 112742811) is 1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for 1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for 1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol is OC(c1ccc[nH]1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is ZQGIMQASKCNJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c13-12(14,15)9-4-1-3-8(7-9)11(17)10-5-2-6-16-10/h2,5-6,8-9,11,16-17H,1,3-4,7H2.
What are the key properties of 1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol?
1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 247.26 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 112742811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).