2-(2-fluoro-3,4-dihydrochromen-2-yl)acetonitrile

C11H10FNO — CID 141163115

IUPAC2-(2-fluoro-3,4-dihydrochromen-2-yl)acetonitrile
SMILESN#CCC1(F)CCc2ccccc2O1
InChIInChI=1S/C11H10FNO/c12-11(7-8-13)6-5-9-3-1-2-4-10(9)14-11/h1-4H,5-7H2
InChIKeyKVVHSGSRMLANRX-UHFFFAOYSA-N
MW191.21 g/mol
LogP2.59
Rot. Bonds1

About 2-(2-fluoro-3,4-dihydrochromen-2-yl)acetonitrile

2-(2-fluoro-3,4-dihydrochromen-2-yl)acetonitrile (PubChem CID 141163115) has the molecular formula C11H10FNO and a molecular weight of 191.21 g/mol. Its IUPAC name is 2-(2-fluoro-3,4-dihydrochromen-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-fluoro-3,4-dihydrochromen-2-yl)acetonitrile
PubChem CID141163115
Molecular FormulaC11H10FNO
Molecular Weight191.21 g/mol
Exact Mass191.07
IUPAC Name2-(2-fluoro-3,4-dihydrochromen-2-yl)acetonitrile
SMILESN#CCC1(F)CCc2ccccc2O1
InChIInChI=1S/C11H10FNO/c12-11(7-8-13)6-5-9-3-1-2-4-10(9)14-11/h1-4H,5-7H2
InChIKeyKVVHSGSRMLANRX-UHFFFAOYSA-N
XLogP2.59
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3,4-dihydrochromen-2-yl)acetonitrile?
The IUPAC name of 2-(2-fluoro-3,4-dihydrochromen-2-yl)acetonitrile (CID 141163115) is 2-(2-fluoro-3,4-dihydrochromen-2-yl)acetonitrile.
What is the SMILES notation for 2-(2-fluoro-3,4-dihydrochromen-2-yl)acetonitrile?
The canonical SMILES for 2-(2-fluoro-3,4-dihydrochromen-2-yl)acetonitrile is N#CCC1(F)CCc2ccccc2O1.
What is the InChIKey of 2-(2-fluoro-3,4-dihydrochromen-2-yl)acetonitrile?
The InChIKey is KVVHSGSRMLANRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c12-11(7-8-13)6-5-9-3-1-2-4-10(9)14-11/h1-4H,5-7H2.
What are the key properties of 2-(2-fluoro-3,4-dihydrochromen-2-yl)acetonitrile?
2-(2-fluoro-3,4-dihydrochromen-2-yl)acetonitrile has a molecular weight of 191.21 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3,4-dihydrochromen-2-yl)acetonitrile is sourced from PubChem (CID 141163115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).