4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol

C9H6F4O — CID 130114805

IUPAC4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C9H6F4O/c10-6-3-1-2-4(14)5(3)7(11)9(13)8(6)12/h4,14H,1-2H2
InChIKeySREHTDPNNCZQPF-UHFFFAOYSA-N
MW206.14 g/mol
LogP2.22
Rot. Bonds

About 4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol

4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol (PubChem CID 130114805) has the molecular formula C9H6F4O and a molecular weight of 206.14 g/mol. Its IUPAC name is 4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol
PubChem CID130114805
Molecular FormulaC9H6F4O
Molecular Weight206.14 g/mol
Exact Mass206.04
IUPAC Name4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C9H6F4O/c10-6-3-1-2-4(14)5(3)7(11)9(13)8(6)12/h4,14H,1-2H2
InChIKeySREHTDPNNCZQPF-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.14
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(1S,2S)-5,6,7,8-tetrafluoro-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 57068240
(1R)-5-chloro-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 107477727
7-sulfanyl-2,3-dihydro-1H-indene-1,4-diol
CID 145171069
2,3,4,5,7-pentafluorobicyclo[4.2.0]octa-1(6),2,4-triene
CID 23262367
(7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid
CID 174959482
(1S)-7-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 67814250
7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 171613740
8-amino-5,6-difluoro-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 10798628
(1R,9R,10S)-3,4,5,6-tetrafluorotricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-ol
CID 23264814
5,7-difluoro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79732992
5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-ol
CID 58950939
3,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 164598328

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol (CID 130114805) is 4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol is OC1CCc2c(F)c(F)c(F)c(F)c21.
What is the InChIKey of 4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol?
The InChIKey is SREHTDPNNCZQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O/c10-6-3-1-2-4(14)5(3)7(11)9(13)8(6)12/h4,14H,1-2H2.
What are the key properties of 4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol?
4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol has a molecular weight of 206.14 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 130114805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).