(3S)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile

C10H7F2NO — CID 176550198

IUPAC(3S)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile
SMILESN#Cc1cccc2c1[C@H](O)C(F)(F)C2
InChIInChI=1S/C10H7F2NO/c11-10(12)4-6-2-1-3-7(5-13)8(6)9(10)14/h1-3,9,14H,4H2/t9-/m0/s1
InChIKeyLBJPOYSJHBCCKJ-VIFPVBQESA-N
MW195.17 g/mol
LogP1.78
Rot. Bonds

About (3S)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile

(3S)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile (PubChem CID 176550198) has the molecular formula C10H7F2NO and a molecular weight of 195.17 g/mol. Its IUPAC name is (3S)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile.

Molecular Properties

Compound Name(3S)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile
PubChem CID176550198
Molecular FormulaC10H7F2NO
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name(3S)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile
SMILESN#Cc1cccc2c1[C@H](O)C(F)(F)C2
InChIInChI=1S/C10H7F2NO/c11-10(12)4-6-2-1-3-7(5-13)8(6)9(10)14/h1-3,9,14H,4H2/t9-/m0/s1
InChIKeyLBJPOYSJHBCCKJ-VIFPVBQESA-N
XLogP1.78
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-2,3-dihydro-1H-inden-1-ol
CID 23082867
(1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 47003503
4-(1,1,1-Trifluoro-2,3-dihydroxypropan-2-yl)-2-(trifluoromethyl)benzonitrile
CID 127048375
(1S)-4-Methylindan-1-ol
CID 11615192
(r)-4-Methyl-indan-1-ol
CID 11629630
1H-Inden-1-ol, 2-fluoro-2,3-dihydro-, (1R,2S)-
CID 12167272
9-Hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile
CID 59492936
9-Hydroxy-9-(trifluoromethyl)fluorene-2-carbonitrile
CID 59493029
4,7-difluoro-2,3-dihydro-1H-inden-1-ol
CID 598153
(1R)-4-fluoro-2,3-dihydro-1H-inden-1-ol
CID 28293932
4-Fluoro-3-(1-hydroxyethyl)benzonitrile
CID 23000166
5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 23082890

Frequently Asked Questions

What is the IUPAC name of (3S)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile?
The IUPAC name of (3S)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile (CID 176550198) is (3S)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile.
What is the SMILES notation for (3S)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile?
The canonical SMILES for (3S)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile is N#Cc1cccc2c1[C@H](O)C(F)(F)C2.
What is the InChIKey of (3S)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile?
The InChIKey is LBJPOYSJHBCCKJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H7F2NO/c11-10(12)4-6-2-1-3-7(5-13)8(6)9(10)14/h1-3,9,14H,4H2/t9-/m0/s1.
What are the key properties of (3S)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile?
(3S)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile has a molecular weight of 195.17 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile is sourced from PubChem (CID 176550198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).