7-fluoro-4-prop-1-en-2-ylisoquinoline

C12H10FN — CID 175783594

IUPAC7-fluoro-4-prop-1-en-2-ylisoquinoline
SMILESC=C(C)c1cncc2cc(F)ccc12
InChIInChI=1S/C12H10FN/c1-8(2)12-7-14-6-9-5-10(13)3-4-11(9)12/h3-7H,1H2,2H3
InChIKeyPWSCVLHPJSGKNO-UHFFFAOYSA-N
MW187.22 g/mol
LogP3.41
Rot. Bonds1

About 7-fluoro-4-prop-1-en-2-ylisoquinoline

7-fluoro-4-prop-1-en-2-ylisoquinoline (PubChem CID 175783594) has the molecular formula C12H10FN and a molecular weight of 187.22 g/mol. Its IUPAC name is 7-fluoro-4-prop-1-en-2-ylisoquinoline.

Molecular Properties

Compound Name7-fluoro-4-prop-1-en-2-ylisoquinoline
PubChem CID175783594
Molecular FormulaC12H10FN
Molecular Weight187.22 g/mol
Exact Mass187.08
IUPAC Name7-fluoro-4-prop-1-en-2-ylisoquinoline
SMILESC=C(C)c1cncc2cc(F)ccc12
InChIInChI=1S/C12H10FN/c1-8(2)12-7-14-6-9-5-10(13)3-4-11(9)12/h3-7H,1H2,2H3
InChIKeyPWSCVLHPJSGKNO-UHFFFAOYSA-N
XLogP3.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-1,2-bis(prop-1-en-2-yl)benzene
CID 139356848
4-(2,5-difluorophenyl)-3-prop-1-en-2-ylpyridine
CID 151088258
2,4-difluoro-1-prop-1-en-2-ylbenzene
CID 10877333
ethane;5-fluoro-2-prop-1-en-2-ylphenol
CID 142945481
4-fluoro-1-iodo-2-prop-1-en-2-ylbenzene
CID 164896501
5-fluoro-2-prop-1-en-2-ylaniline
CID 124704429
ethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine
CID 157040724
N-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine
CID 153370465
7-fluoro-4-prop-1-en-2-yl-2H-phthalazin-1-one
CID 175783636
3-butyl-7-fluoro-4-(18F)fluoroisoquinoline
CID 177413079
3,6-difluoro-1-methylnaphthalene
CID 138605249
(2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone
CID 114971945

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-prop-1-en-2-ylisoquinoline?
The IUPAC name of 7-fluoro-4-prop-1-en-2-ylisoquinoline (CID 175783594) is 7-fluoro-4-prop-1-en-2-ylisoquinoline.
What is the SMILES notation for 7-fluoro-4-prop-1-en-2-ylisoquinoline?
The canonical SMILES for 7-fluoro-4-prop-1-en-2-ylisoquinoline is C=C(C)c1cncc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-4-prop-1-en-2-ylisoquinoline?
The InChIKey is PWSCVLHPJSGKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN/c1-8(2)12-7-14-6-9-5-10(13)3-4-11(9)12/h3-7H,1H2,2H3.
What are the key properties of 7-fluoro-4-prop-1-en-2-ylisoquinoline?
7-fluoro-4-prop-1-en-2-ylisoquinoline has a molecular weight of 187.22 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-prop-1-en-2-ylisoquinoline is sourced from PubChem (CID 175783594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).