ethane;4-fluoro-2-prop-1-en-2-yl-1,3-dihydroisoindole

C13H18FN — CID 143037628

IUPACethane;4-fluoro-2-prop-1-en-2-yl-1,3-dihydroisoindole
SMILESC=C(C)N1Cc2cccc(F)c2C1.CC
InChIInChI=1S/C11H12FN.C2H6/c1-8(2)13-6-9-4-3-5-11(12)10(9)7-13;1-2/h3-5H,1,6-7H2,2H3;1-2H3
InChIKeyKSZGPBGZXBDTEB-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.70
Rot. Bonds1

About ethane;4-fluoro-2-prop-1-en-2-yl-1,3-dihydroisoindole

ethane;4-fluoro-2-prop-1-en-2-yl-1,3-dihydroisoindole (PubChem CID 143037628) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is ethane;4-fluoro-2-prop-1-en-2-yl-1,3-dihydroisoindole.

Molecular Properties

Compound Nameethane;4-fluoro-2-prop-1-en-2-yl-1,3-dihydroisoindole
PubChem CID143037628
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Nameethane;4-fluoro-2-prop-1-en-2-yl-1,3-dihydroisoindole
SMILESC=C(C)N1Cc2cccc(F)c2C1.CC
InChIInChI=1S/C11H12FN.C2H6/c1-8(2)13-6-9-4-3-5-11(12)10(9)7-13;1-2/h3-5H,1,6-7H2,2H3;1-2H3
InChIKeyKSZGPBGZXBDTEB-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-prop-1-en-2-yl-1,3-dihydroisoindole
CID 143037629
4-chloro-2-prop-1-en-2-yl-1,3-dihydroisoindole
CID 55275495
ethene;methyl 4-fluoro-1,3-dihydroisoindole-2-carboxylate
CID 143812546
N-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide
CID 89157968
(2S,4R)-1-acetyl-4-[(4-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 59441308
2-ethylsulfonyl-4-fluoro-1,3-dihydroisoindole
CID 67574769
ethane;2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
CID 143140351
(4-bromo-1,3-dihydroisoindol-2-yl)-(2-fluorophenyl)methanone
CID 172876011
1-O-tert-butyl 2-O-methyl (2S,4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxypyrrolidine-1,2-dicarboxylate
CID 58001536
1-(4-fluoro-1,3-dihydroisoindol-2-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone
CID 166512163
2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
CID 58157151
1-(4-methoxy-1,3-dihydroisoindol-2-yl)ethanone
CID 20754713

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-2-prop-1-en-2-yl-1,3-dihydroisoindole?
The IUPAC name of ethane;4-fluoro-2-prop-1-en-2-yl-1,3-dihydroisoindole (CID 143037628) is ethane;4-fluoro-2-prop-1-en-2-yl-1,3-dihydroisoindole.
What is the SMILES notation for ethane;4-fluoro-2-prop-1-en-2-yl-1,3-dihydroisoindole?
The canonical SMILES for ethane;4-fluoro-2-prop-1-en-2-yl-1,3-dihydroisoindole is C=C(C)N1Cc2cccc(F)c2C1.CC.
What is the InChIKey of ethane;4-fluoro-2-prop-1-en-2-yl-1,3-dihydroisoindole?
The InChIKey is KSZGPBGZXBDTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN.C2H6/c1-8(2)13-6-9-4-3-5-11(12)10(9)7-13;1-2/h3-5H,1,6-7H2,2H3;1-2H3.
What are the key properties of ethane;4-fluoro-2-prop-1-en-2-yl-1,3-dihydroisoindole?
ethane;4-fluoro-2-prop-1-en-2-yl-1,3-dihydroisoindole has a molecular weight of 207.29 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-2-prop-1-en-2-yl-1,3-dihydroisoindole is sourced from PubChem (CID 143037628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).