4-[(E)-2-fluoroprop-1-enyl]quinoline

C12H10FN — CID 173227101

IUPAC4-[(E)-2-fluoroprop-1-enyl]quinoline
SMILESC/C(F)=C\c1ccnc2ccccc12
InChIInChI=1S/C12H10FN/c1-9(13)8-10-6-7-14-12-5-3-2-4-11(10)12/h2-8H,1H3/b9-8+
InChIKeyKGXVTPRRPOEALS-CMDGGOBGSA-N
MW187.22 g/mol
LogP3.57
Rot. Bonds1

About 4-[(E)-2-fluoroprop-1-enyl]quinoline

4-[(E)-2-fluoroprop-1-enyl]quinoline (PubChem CID 173227101) has the molecular formula C12H10FN and a molecular weight of 187.22 g/mol. Its IUPAC name is 4-[(E)-2-fluoroprop-1-enyl]quinoline.

Molecular Properties

Compound Name4-[(E)-2-fluoroprop-1-enyl]quinoline
PubChem CID173227101
Molecular FormulaC12H10FN
Molecular Weight187.22 g/mol
Exact Mass187.08
IUPAC Name4-[(E)-2-fluoroprop-1-enyl]quinoline
SMILESC/C(F)=C\c1ccnc2ccccc12
InChIInChI=1S/C12H10FN/c1-9(13)8-10-6-7-14-12-5-3-2-4-11(10)12/h2-8H,1H3/b9-8+
InChIKeyKGXVTPRRPOEALS-CMDGGOBGSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-methyl-4-quinolin-4-ylbut-3-en-2-amine
CID 103091924
4-(3-methylbuta-1,3-dienyl)quinoline
CID 123171644
3-methyl-2-(quinolin-4-ylmethylidene)butanal
CID 79335656
N-methyl-1-quinolin-4-ylmethanimine
CID 119086177
4-[(Z)-prop-1-enyl]quinoline
CID 89064507
N-methyl-1-quinolin-4-ylmethanimine oxide
CID 6253940
(E)-3-quinolin-4-ylprop-2-en-1-ol
CID 22631016
methyl 2-cyano-3-quinolin-4-ylprop-2-enoate
CID 91169635
N-propan-2-yl-2-(quinolin-4-ylmethylidene)butan-1-amine
CID 79330015
4-(2-quinolin-4-ylethenyl)phenol
CID 619025
4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline
CID 58870156
(E)-3-quinolin-4-ylprop-2-enal
CID 10419846

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-fluoroprop-1-enyl]quinoline?
The IUPAC name of 4-[(E)-2-fluoroprop-1-enyl]quinoline (CID 173227101) is 4-[(E)-2-fluoroprop-1-enyl]quinoline.
What is the SMILES notation for 4-[(E)-2-fluoroprop-1-enyl]quinoline?
The canonical SMILES for 4-[(E)-2-fluoroprop-1-enyl]quinoline is C/C(F)=C\c1ccnc2ccccc12.
What is the InChIKey of 4-[(E)-2-fluoroprop-1-enyl]quinoline?
The InChIKey is KGXVTPRRPOEALS-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H10FN/c1-9(13)8-10-6-7-14-12-5-3-2-4-11(10)12/h2-8H,1H3/b9-8+.
What are the key properties of 4-[(E)-2-fluoroprop-1-enyl]quinoline?
4-[(E)-2-fluoroprop-1-enyl]quinoline has a molecular weight of 187.22 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-fluoroprop-1-enyl]quinoline is sourced from PubChem (CID 173227101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).