(1R)-5-fluoro-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carbonitrile

C11H10FNO — CID 124560327

IUPAC(1R)-5-fluoro-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carbonitrile
SMILESN#Cc1c(F)ccc2c1CC[C@H]2CO
InChIInChI=1S/C11H10FNO/c12-11-4-3-8-7(6-14)1-2-9(8)10(11)5-13/h3-4,7,14H,1-2,6H2/t7-/m0/s1
InChIKeyIGKIQTUQLPXHIQ-ZETCQYMHSA-N
MW191.20 g/mol
LogP1.72
Rot. Bonds1

About (1R)-5-fluoro-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carbonitrile

(1R)-5-fluoro-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carbonitrile (PubChem CID 124560327) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is (1R)-5-fluoro-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carbonitrile.

Molecular Properties

Compound Name(1R)-5-fluoro-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carbonitrile
PubChem CID124560327
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name(1R)-5-fluoro-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carbonitrile
SMILESN#Cc1c(F)ccc2c1CC[C@H]2CO
InChIInChI=1S/C11H10FNO/c12-11-4-3-8-7(6-14)1-2-9(8)10(11)5-13/h3-4,7,14H,1-2,6H2/t7-/m0/s1
InChIKeyIGKIQTUQLPXHIQ-ZETCQYMHSA-N
XLogP1.72
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-5-fluoro-1-formyl-2,3-dihydro-1H-indene-4-carbonitrile
CID 129390000
tert-butyl N-[[(1S)-4-cyano-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-N-prop-2-enylcarbamate
CID 125499288
6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile
CID 13156214
1-(1,4-diazepan-1-ylmethyl)-6-fluoro-3,4-dihydro-1H-isochromene-5-carbonitrile
CID 123785820
2,3-difluoro-6-piperidin-4-ylbenzonitrile
CID 177334116
methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate
CID 124673429
3,6-difluoro-2-hydroxybenzonitrile
CID 45083150
1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 55292008
6-fluoro-2-methyl-3-(oxiran-2-yl)benzonitrile
CID 86647307
2-fluoro-4-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 175452191
2-fluoro-6-[(2R,5S)-5-(hydroxymethyl)-2-methylpiperidin-1-yl]sulfonylbenzonitrile
CID 97253290
4-fluoro-1-(isocyanatomethyl)-2,3-dihydro-1H-indene
CID 83829688

Frequently Asked Questions

What is the IUPAC name of (1R)-5-fluoro-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carbonitrile?
The IUPAC name of (1R)-5-fluoro-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carbonitrile (CID 124560327) is (1R)-5-fluoro-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carbonitrile.
What is the SMILES notation for (1R)-5-fluoro-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carbonitrile?
The canonical SMILES for (1R)-5-fluoro-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carbonitrile is N#Cc1c(F)ccc2c1CC[C@H]2CO.
What is the InChIKey of (1R)-5-fluoro-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carbonitrile?
The InChIKey is IGKIQTUQLPXHIQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H10FNO/c12-11-4-3-8-7(6-14)1-2-9(8)10(11)5-13/h3-4,7,14H,1-2,6H2/t7-/m0/s1.
What are the key properties of (1R)-5-fluoro-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carbonitrile?
(1R)-5-fluoro-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carbonitrile has a molecular weight of 191.20 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-fluoro-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carbonitrile is sourced from PubChem (CID 124560327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).