[1-(4,4,4-trifluorobutyl)indol-4-yl]methanol

C13H14F3NO — CID 113326659

IUPAC[1-(4,4,4-trifluorobutyl)indol-4-yl]methanol
SMILESOCc1cccc2c1ccn2CCCC(F)(F)F
InChIInChI=1S/C13H14F3NO/c14-13(15,16)6-2-7-17-8-5-11-10(9-18)3-1-4-12(11)17/h1,3-5,8,18H,2,6-7,9H2
InChIKeyBISYGSKQWAEDBN-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.48
Rot. Bonds4

About [1-(4,4,4-trifluorobutyl)indol-4-yl]methanol

[1-(4,4,4-trifluorobutyl)indol-4-yl]methanol (PubChem CID 113326659) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is [1-(4,4,4-trifluorobutyl)indol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4,4,4-trifluorobutyl)indol-4-yl]methanol
PubChem CID113326659
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name[1-(4,4,4-trifluorobutyl)indol-4-yl]methanol
SMILESOCc1cccc2c1ccn2CCCC(F)(F)F
InChIInChI=1S/C13H14F3NO/c14-13(15,16)6-2-7-17-8-5-11-10(9-18)3-1-4-12(11)17/h1,3-5,8,18H,2,6-7,9H2
InChIKeyBISYGSKQWAEDBN-UHFFFAOYSA-N
XLogP3.48
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,3,3-trifluoropropyl)indol-4-yl]methanol
CID 64566330
4-fluoro-1-(4,4,4-trifluorobutyl)indole
CID 82792819
[1-(hydroxymethyl)indol-4-yl]methanol
CID 129249901
N-[[1-(3,3,3-trifluoropropyl)indol-4-yl]methyl]cyclopropanamine
CID 64567360
2-[4-(hydroxymethyl)indol-1-yl]acetamide
CID 28947081
1-(3,3,3-trifluoropropyl)indole-4-carbonitrile
CID 107918977
5-(4-fluoroindol-1-yl)pentan-1-ol
CID 82791901
3-(4-bromoindol-1-yl)propan-1-ol
CID 66827430
[1-[(2-phenylethylamino)methyl]indol-4-yl]methanol
CID 70491880
4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol
CID 82794768
6-methyl-1-(4,4,4-trifluorobutyl)indole
CID 116546672
4-chloro-1-(3-fluoropropyl)indole
CID 116623866

Frequently Asked Questions

What is the IUPAC name of [1-(4,4,4-trifluorobutyl)indol-4-yl]methanol?
The IUPAC name of [1-(4,4,4-trifluorobutyl)indol-4-yl]methanol (CID 113326659) is [1-(4,4,4-trifluorobutyl)indol-4-yl]methanol.
What is the SMILES notation for [1-(4,4,4-trifluorobutyl)indol-4-yl]methanol?
The canonical SMILES for [1-(4,4,4-trifluorobutyl)indol-4-yl]methanol is OCc1cccc2c1ccn2CCCC(F)(F)F.
What is the InChIKey of [1-(4,4,4-trifluorobutyl)indol-4-yl]methanol?
The InChIKey is BISYGSKQWAEDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)6-2-7-17-8-5-11-10(9-18)3-1-4-12(11)17/h1,3-5,8,18H,2,6-7,9H2.
What are the key properties of [1-(4,4,4-trifluorobutyl)indol-4-yl]methanol?
[1-(4,4,4-trifluorobutyl)indol-4-yl]methanol has a molecular weight of 257.25 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,4,4-trifluorobutyl)indol-4-yl]methanol is sourced from PubChem (CID 113326659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).