6-chloro-4-fluoro-2,3-dihydro-1H-indene-1-carbonitrile

C10H7ClFN — CID 130114232

IUPAC6-chloro-4-fluoro-2,3-dihydro-1H-indene-1-carbonitrile
SMILESN#CC1CCc2c(F)cc(Cl)cc21
InChIInChI=1S/C10H7ClFN/c11-7-3-9-6(5-13)1-2-8(9)10(12)4-7/h3-4,6H,1-2H2
InChIKeyCUNREGGDMQKDJV-UHFFFAOYSA-N
MW195.62 g/mol
LogP3.03
Rot. Bonds

About 6-chloro-4-fluoro-2,3-dihydro-1H-indene-1-carbonitrile

6-chloro-4-fluoro-2,3-dihydro-1H-indene-1-carbonitrile (PubChem CID 130114232) has the molecular formula C10H7ClFN and a molecular weight of 195.62 g/mol. Its IUPAC name is 6-chloro-4-fluoro-2,3-dihydro-1H-indene-1-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-fluoro-2,3-dihydro-1H-indene-1-carbonitrile
PubChem CID130114232
Molecular FormulaC10H7ClFN
Molecular Weight195.62 g/mol
Exact Mass195.03
IUPAC Name6-chloro-4-fluoro-2,3-dihydro-1H-indene-1-carbonitrile
SMILESN#CC1CCc2c(F)cc(Cl)cc21
InChIInChI=1S/C10H7ClFN/c11-7-3-9-6(5-13)1-2-8(9)10(12)4-7/h3-4,6H,1-2H2
InChIKeyCUNREGGDMQKDJV-UHFFFAOYSA-N
XLogP3.03
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.62
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]azanium chloride
CID 159810414
2-[(2R)-azetidin-2-yl]-4-chloro-6-fluoroaniline
CID 130713903
N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroxybenzamide
CID 142729740
7-chloro-2,3,4,5-tetrahydro-1-benzoxepine-5-carbonitrile
CID 82241513
3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 140712230
4-chloro-2-cyclopropylbenzonitrile
CID 90240370
N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 141420905
5-chloro-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
CID 134106267
N-[2-amino-1-(5-cyano-3-pyridinyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 118935582
N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethoxy)benzamide
CID 142729781
2-(6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl)acetonitrile
CID 130114251
N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide
CID 118935922

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-fluoro-2,3-dihydro-1H-indene-1-carbonitrile?
The IUPAC name of 6-chloro-4-fluoro-2,3-dihydro-1H-indene-1-carbonitrile (CID 130114232) is 6-chloro-4-fluoro-2,3-dihydro-1H-indene-1-carbonitrile.
What is the SMILES notation for 6-chloro-4-fluoro-2,3-dihydro-1H-indene-1-carbonitrile?
The canonical SMILES for 6-chloro-4-fluoro-2,3-dihydro-1H-indene-1-carbonitrile is N#CC1CCc2c(F)cc(Cl)cc21.
What is the InChIKey of 6-chloro-4-fluoro-2,3-dihydro-1H-indene-1-carbonitrile?
The InChIKey is CUNREGGDMQKDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN/c11-7-3-9-6(5-13)1-2-8(9)10(12)4-7/h3-4,6H,1-2H2.
What are the key properties of 6-chloro-4-fluoro-2,3-dihydro-1H-indene-1-carbonitrile?
6-chloro-4-fluoro-2,3-dihydro-1H-indene-1-carbonitrile has a molecular weight of 195.62 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-fluoro-2,3-dihydro-1H-indene-1-carbonitrile is sourced from PubChem (CID 130114232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).