(3R)-2-methyl-3-[4-(trifluoromethyl)indol-1-yl]butan-2-ol

C14H16F3NO — CID 150439091

IUPAC(3R)-2-methyl-3-[4-(trifluoromethyl)indol-1-yl]butan-2-ol
SMILESC[C@@H](n1ccc2c(C(F)(F)F)cccc21)C(C)(C)O
InChIInChI=1S/C14H16F3NO/c1-9(13(2,3)19)18-8-7-10-11(14(15,16)17)5-4-6-12(10)18/h4-9,19H,1-3H3/t9-/m1/s1
InChIKeyHLJSENOKGFERAB-SECBINFHSA-N
MW271.28 g/mol
LogP3.99
Rot. Bonds2

About (3R)-2-methyl-3-[4-(trifluoromethyl)indol-1-yl]butan-2-ol

(3R)-2-methyl-3-[4-(trifluoromethyl)indol-1-yl]butan-2-ol (PubChem CID 150439091) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is (3R)-2-methyl-3-[4-(trifluoromethyl)indol-1-yl]butan-2-ol.

Molecular Properties

Compound Name(3R)-2-methyl-3-[4-(trifluoromethyl)indol-1-yl]butan-2-ol
PubChem CID150439091
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name(3R)-2-methyl-3-[4-(trifluoromethyl)indol-1-yl]butan-2-ol
SMILESC[C@@H](n1ccc2c(C(F)(F)F)cccc21)C(C)(C)O
InChIInChI=1S/C14H16F3NO/c1-9(13(2,3)19)18-8-7-10-11(14(15,16)17)5-4-6-12(10)18/h4-9,19H,1-3H3/t9-/m1/s1
InChIKeyHLJSENOKGFERAB-SECBINFHSA-N
XLogP3.99
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-methyl-3-[4-(trifluoromethyl)indol-1-yl]butan-2-ol?
The IUPAC name of (3R)-2-methyl-3-[4-(trifluoromethyl)indol-1-yl]butan-2-ol (CID 150439091) is (3R)-2-methyl-3-[4-(trifluoromethyl)indol-1-yl]butan-2-ol.
What is the SMILES notation for (3R)-2-methyl-3-[4-(trifluoromethyl)indol-1-yl]butan-2-ol?
The canonical SMILES for (3R)-2-methyl-3-[4-(trifluoromethyl)indol-1-yl]butan-2-ol is C[C@@H](n1ccc2c(C(F)(F)F)cccc21)C(C)(C)O.
What is the InChIKey of (3R)-2-methyl-3-[4-(trifluoromethyl)indol-1-yl]butan-2-ol?
The InChIKey is HLJSENOKGFERAB-SECBINFHSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-9(13(2,3)19)18-8-7-10-11(14(15,16)17)5-4-6-12(10)18/h4-9,19H,1-3H3/t9-/m1/s1.
What are the key properties of (3R)-2-methyl-3-[4-(trifluoromethyl)indol-1-yl]butan-2-ol?
(3R)-2-methyl-3-[4-(trifluoromethyl)indol-1-yl]butan-2-ol has a molecular weight of 271.28 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methyl-3-[4-(trifluoromethyl)indol-1-yl]butan-2-ol is sourced from PubChem (CID 150439091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).