3-[(Z)-but-1-enyl]-2-methyl-1,4-bis(trifluoromethyl)inden-1-ol

C16H14F6O — CID 143972423

IUPAC3-[(Z)-but-1-enyl]-2-methyl-1,4-bis(trifluoromethyl)inden-1-ol
SMILESCC/C=C\C1=C(C)C(O)(C(F)(F)F)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C16H14F6O/c1-3-4-6-10-9(2)14(23,16(20,21)22)11-7-5-8-12(13(10)11)15(17,18)19/h4-8,23H,3H2,1-2H3/b6-4-
InChIKeyHVTPAEPEQPGVIH-XQRVVYSFSA-N
MW336.28 g/mol
LogP5.21
Rot. Bonds2

About 3-[(Z)-but-1-enyl]-2-methyl-1,4-bis(trifluoromethyl)inden-1-ol

3-[(Z)-but-1-enyl]-2-methyl-1,4-bis(trifluoromethyl)inden-1-ol (PubChem CID 143972423) has the molecular formula C16H14F6O and a molecular weight of 336.28 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]-2-methyl-1,4-bis(trifluoromethyl)inden-1-ol.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]-2-methyl-1,4-bis(trifluoromethyl)inden-1-ol
PubChem CID143972423
Molecular FormulaC16H14F6O
Molecular Weight336.28 g/mol
Exact Mass336.09
IUPAC Name3-[(Z)-but-1-enyl]-2-methyl-1,4-bis(trifluoromethyl)inden-1-ol
SMILESCC/C=C\C1=C(C)C(O)(C(F)(F)F)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C16H14F6O/c1-3-4-6-10-9(2)14(23,16(20,21)22)11-7-5-8-12(13(10)11)15(17,18)19/h4-8,23H,3H2,1-2H3/b6-4-
InChIKeyHVTPAEPEQPGVIH-XQRVVYSFSA-N
XLogP5.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.28
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-1-enyl]-2-methyl-1,4-bis(trifluoromethyl)inden-1-ol?
The IUPAC name of 3-[(Z)-but-1-enyl]-2-methyl-1,4-bis(trifluoromethyl)inden-1-ol (CID 143972423) is 3-[(Z)-but-1-enyl]-2-methyl-1,4-bis(trifluoromethyl)inden-1-ol.
What is the SMILES notation for 3-[(Z)-but-1-enyl]-2-methyl-1,4-bis(trifluoromethyl)inden-1-ol?
The canonical SMILES for 3-[(Z)-but-1-enyl]-2-methyl-1,4-bis(trifluoromethyl)inden-1-ol is CC/C=C\C1=C(C)C(O)(C(F)(F)F)c2cccc(C(F)(F)F)c21.
What is the InChIKey of 3-[(Z)-but-1-enyl]-2-methyl-1,4-bis(trifluoromethyl)inden-1-ol?
The InChIKey is HVTPAEPEQPGVIH-XQRVVYSFSA-N. The full InChI is InChI=1S/C16H14F6O/c1-3-4-6-10-9(2)14(23,16(20,21)22)11-7-5-8-12(13(10)11)15(17,18)19/h4-8,23H,3H2,1-2H3/b6-4-.
What are the key properties of 3-[(Z)-but-1-enyl]-2-methyl-1,4-bis(trifluoromethyl)inden-1-ol?
3-[(Z)-but-1-enyl]-2-methyl-1,4-bis(trifluoromethyl)inden-1-ol has a molecular weight of 336.28 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]-2-methyl-1,4-bis(trifluoromethyl)inden-1-ol is sourced from PubChem (CID 143972423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).