(1S)-1-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene

C16H12F4 — CID 162577520

IUPAC(1S)-1-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene
SMILESFc1ccc([C@@H]2CCc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C16H12F4/c17-13-5-1-10(2-6-13)14-7-3-11-9-12(16(18,19)20)4-8-15(11)14/h1-2,4-6,8-9,14H,3,7H2/t14-/m0/s1
InChIKeyICVVNPLUDCSRBO-AWEZNQCLSA-N
MW280.26 g/mol
LogP4.92
Rot. Bonds1

About (1S)-1-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene

(1S)-1-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene (PubChem CID 162577520) has the molecular formula C16H12F4 and a molecular weight of 280.26 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene
PubChem CID162577520
Molecular FormulaC16H12F4
Molecular Weight280.26 g/mol
Exact Mass280.09
IUPAC Name(1S)-1-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene
SMILESFc1ccc([C@@H]2CCc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C16H12F4/c17-13-5-1-10(2-6-13)14-7-3-11-9-12(16(18,19)20)4-8-15(11)14/h1-2,4-6,8-9,14H,3,7H2/t14-/m0/s1
InChIKeyICVVNPLUDCSRBO-AWEZNQCLSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,3S)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 131848103
(1R)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 29415647
6-methoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene
CID 15576006
5-fluoro-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 116530756
3-[5-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]pyridine
CID 25033662
[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 14114278
(5S)-5-propan-2-yl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 170289723
1-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83354458
6-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 19861924
(1S)-1-[2-(2,4-difluorophenyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 154031714
(2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 131605067
(2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 102598226

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene?
The IUPAC name of (1S)-1-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene (CID 162577520) is (1S)-1-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene is Fc1ccc([C@@H]2CCc3cc(C(F)(F)F)ccc32)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene?
The InChIKey is ICVVNPLUDCSRBO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H12F4/c17-13-5-1-10(2-6-13)14-7-3-11-9-12(16(18,19)20)4-8-15(11)14/h1-2,4-6,8-9,14H,3,7H2/t14-/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene?
(1S)-1-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene has a molecular weight of 280.26 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 162577520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).